data_2ihx_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2ihx _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.813 0.339 . . . . 62.35 111.145 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 129.59 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.843 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.78 -25.45 16.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 75.22 112.563 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -112.85 116.38 29.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 119.341 -0.361 . . . . 75.54 110.902 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 t -68.32 147.02 52.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 73.15 108.317 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -111.86 -24.15 10.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.01 -0.996 . . . . 74.15 110.903 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -65.89 -41.35 91.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 75.23 111.091 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -113.07 -39.4 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 73.15 108.307 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.07 36.14 3.48 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.055 -0.975 . . . . 72.11 112.451 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.48 129.6 24.37 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.679 0.752 . . . . 75.44 110.858 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.82 167.25 25.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 73.04 112.324 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.73 -27.21 20.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 64.41 112.466 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -145.11 174.81 10.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 74.52 110.871 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.3 178.55 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 71.25 110.917 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -49.53 -43.25 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 72.52 110.9 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.55 -30.57 63.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 54.25 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -120.0 31.02 6.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 73.12 110.922 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 t -78.02 124.91 86.0 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 122.762 1.268 . . . . 71.14 108.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -13.1 34.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 73.41 112.35 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -97.39 0.26 47.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 73.41 110.901 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 75.11 110.898 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 119.318 -0.373 . . . . 73.05 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -123.85 117.5 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 55.42 108.303 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.0 29.63 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.982 -1.008 . . . . 73.45 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.97 -35.68 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 75.4 110.944 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.1 p -130.74 14.5 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 63.33 108.295 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 59.48 20.6 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.013 -0.994 . . . . 74.33 110.856 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.58 157.79 47.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 60.31 112.479 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 33.8 mtp -124.29 97.37 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 74.14 110.882 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.28 -57.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 75.4 112.521 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -87.27 -173.44 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 75.43 110.833 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -118.46 152.33 36.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 74.23 110.897 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.09 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 64.34 111.076 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -22.0 65.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 71.25 110.88 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -117.35 18.85 14.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 61.03 110.964 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 72.2 108.307 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.808 0.337 . . . . 71.33 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.2 128.39 30.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.15 110.892 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.05 -28.03 14.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 74.21 112.433 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.67 124.51 46.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 119.359 -0.353 . . . . 71.45 110.884 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.4 t -75.23 150.55 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 74.21 108.284 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -115.5 -24.88 8.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.968 -1.015 . . . . 73.41 110.892 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -64.51 -43.2 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 75.42 111.131 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.94 -38.31 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 72.02 108.333 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 35.37 3.83 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 114.945 -1.025 . . . . 53.43 112.499 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -100.21 118.34 61.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.739 . . . . 64.23 110.899 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 91.16 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.732 2.288 . . . . 73.33 112.344 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.29 -62.2 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.69 -0.767 . . . . 65.3 112.464 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -98.42 -172.07 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.333 . . . . 73.23 110.896 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.39 177.98 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 73.13 110.889 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -51.21 -42.68 61.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 75.03 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.93 -25.77 61.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 64.13 111.031 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -123.22 27.95 7.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 73.41 110.993 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 t -83.94 124.05 75.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.726 1.25 . . . . 74.0 108.272 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -12.39 32.65 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.598 2.199 . . . . 70.51 112.353 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -98.17 0.19 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.916 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 75.31 110.873 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 119.327 -0.368 . . . . 74.24 110.813 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.5 t -119.38 117.57 28.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 64.32 108.313 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.67 31.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.039 -0.982 . . . . 73.43 110.906 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.71 -35.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.903 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.9 p -131.95 15.0 4.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 71.44 108.282 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.11 19.52 8.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.006 -0.997 . . . . 73.42 110.932 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.54 162.21 29.81 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.67 -0.776 . . . . 64.22 112.497 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.5 ttp -129.71 91.74 3.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 72.23 110.889 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.45 -55.4 0.46 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 53.41 112.461 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -88.4 -173.78 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 74.34 110.858 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.56 151.71 36.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 65.24 110.858 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.08 72.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 73.14 111.094 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.76 -23.68 63.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.87 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.48 18.57 16.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 75.35 110.984 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.4 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 75.03 108.32 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.813 0.34 . . . . 73.24 111.146 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 135.36 28.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.868 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.52 -22.24 41.24 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.742 -0.742 . . . . 72.32 112.446 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.38 122.01 46.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 119.339 -0.363 . . . . 73.43 110.934 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.0 t -68.84 150.66 47.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 72.14 108.336 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -116.11 -23.94 8.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.015 -0.993 . . . . 71.12 110.88 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.3 m -65.87 -43.74 87.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 73.32 111.143 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 p -111.47 -38.08 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 74.43 108.276 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.11 35.35 3.97 Favored Glycine 0 N--CA 1.452 -0.243 0 CA-C-N 114.992 -1.004 . . . . 74.02 112.489 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -100.68 118.91 59.92 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.747 . . . . 74.14 110.912 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 93.98 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.743 2.296 . . . . 73.02 112.307 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.23 -64.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 71.31 112.507 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -96.0 -173.85 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 75.04 110.848 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.62 176.32 8.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.439 . . . . 74.23 110.995 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -51.45 -42.95 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 75.43 110.982 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.43 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 73.24 111.093 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -122.73 26.26 8.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 72.53 110.898 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -81.05 124.17 81.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 122.842 1.306 . . . . 74.4 108.283 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -12.05 32.17 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.625 2.216 . . . . 63.44 112.396 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.53 0.35 44.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 72.43 110.856 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.41 110.88 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 119.32 -0.371 . . . . 74.21 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.6 t -124.3 117.19 23.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 74.14 108.349 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.0 27.88 2.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.99 -1.005 . . . . 73.35 110.955 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.96 -36.19 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 74.12 110.959 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.8 14.48 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 74.35 108.285 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.43 20.71 9.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.035 -0.984 . . . . 71.14 110.892 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.19 157.59 49.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 74.02 112.447 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.2 mtp -124.09 98.5 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 74.41 110.889 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.4 -56.98 0.51 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.758 -0.734 . . . . 65.15 112.479 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -87.7 -173.65 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 71.03 110.873 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -118.34 151.46 37.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.31 110.907 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.13 -34.88 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 74.52 111.086 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -22.55 66.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 73.44 110.867 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -115.41 14.76 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 71.43 110.938 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 75.11 108.276 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.871 0.367 . . . . 74.34 111.154 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -51.12 134.88 26.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.839 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.0 -22.59 40.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.69 -0.767 . . . . 74.51 112.443 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.8 124.76 50.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 119.301 -0.381 . . . . 73.2 110.92 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.65 147.99 43.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 71.44 108.288 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -115.15 -22.56 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.003 -0.999 . . . . 62.31 110.916 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.2 m -67.52 -42.66 82.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.146 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.3 p -111.92 -36.72 5.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 73.24 108.325 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.99 34.69 4.5 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 114.992 -1.004 . . . . 65.33 112.49 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -105.12 115.32 62.47 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.661 0.743 . . . . 75.32 110.9 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 97.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.711 2.274 . . . . 71.41 112.328 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.13 -34.7 0.26 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 74.13 112.516 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -130.81 -173.72 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 72.35 110.894 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 177.77 7.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.881 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -51.29 -43.3 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 73.05 110.885 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.96 -25.54 63.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 74.01 111.061 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -121.15 26.59 8.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 74.34 110.891 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -80.96 124.25 81.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.786 1.279 . . . . 65.34 108.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -12.33 32.61 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.664 2.243 . . . . 53.11 112.29 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 0.51 44.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 74.41 110.895 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.934 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.1 ttt-85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 119.361 -0.352 . . . . 74.35 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.7 t -124.61 116.8 23.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 71.25 108.247 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -94.08 30.44 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.003 -0.999 . . . . 72.01 110.917 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.62 -35.35 2.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.906 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.0 p -131.97 15.25 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.384 1.053 . . . . 71.45 108.336 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m120 59.28 20.38 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.994 -1.003 . . . . 71.54 110.912 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.94 156.48 47.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 74.03 112.505 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.6 tpt -123.79 93.38 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 75.3 110.875 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.42 -57.39 0.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.822 -0.704 . . . . 61.22 112.5 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -86.89 -173.37 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 73.41 110.88 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -118.28 151.03 38.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 71.42 110.904 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.22 -44.37 75.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.098 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -58.55 -22.22 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 73.52 110.907 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -116.63 17.38 15.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.02 110.886 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 73.24 108.25 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.796 0.331 . . . . 74.1 111.101 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -56.41 128.4 35.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 71.44 110.864 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.4 -22.98 37.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.672 -0.775 . . . . 74.52 112.506 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.05 117.56 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 119.303 -0.379 . . . . 75.41 110.923 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 t -66.36 150.35 49.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 63.14 108.367 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -115.35 -23.92 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.083 -0.962 . . . . 75.04 110.962 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 m -65.86 -44.03 86.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 73.33 111.086 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 p -111.46 -37.98 5.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 73.4 108.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 34.87 4.02 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 114.976 -1.011 . . . . 73.44 112.504 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.43 118.1 62.81 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.644 0.735 . . . . 75.54 110.889 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 89.61 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.716 2.277 . . . . 73.04 112.302 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.96 -62.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 52.42 112.491 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -98.05 -174.25 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 75.21 110.819 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.37 175.82 8.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 75.03 110.913 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.27 -42.84 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.886 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.93 -24.68 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.055 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -122.01 25.88 8.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 74.42 110.858 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 t -81.23 124.14 81.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 122.798 1.285 . . . . 71.13 108.339 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -11.88 31.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 72.42 112.311 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.2 -0.03 44.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.04 110.872 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.26 -0.427 . . . . 75.33 110.876 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 119.315 -0.374 . . . . 75.24 110.83 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.6 t -124.76 117.06 23.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 64.13 108.281 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -94.93 28.54 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.982 -1.008 . . . . 61.44 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.5 -36.11 2.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 73.51 110.911 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.0 p -130.05 14.55 5.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 72.41 108.315 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.44 20.76 9.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.941 -1.027 . . . . 75.55 110.845 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.98 157.65 48.55 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 61.23 112.535 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -124.57 97.52 5.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.348 . . . . 72.42 110.872 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.53 -56.8 0.5 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 53.35 112.442 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -87.81 -173.62 4.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 74.35 110.851 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -117.79 151.49 37.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.916 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.72 -36.99 72.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 62.02 111.186 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -21.5 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 72.32 110.901 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.22 15.42 15.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.912 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.2 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 73.42 108.322 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.768 0.318 . . . . 73.41 111.133 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.54 88.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.891 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.72 -8.68 1.8 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.664 -0.779 . . . . 64.32 112.42 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.13 119.9 36.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 119.299 -0.381 . . . . 74.2 110.978 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.4 t -61.89 141.71 57.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 65.31 108.29 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -109.49 39.31 2.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.042 -0.981 . . . . 75.3 110.914 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 m -140.27 -48.11 0.44 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 64.1 111.118 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -110.38 -37.52 5.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 73.15 108.231 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 30.16 4.27 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.003 -0.999 . . . . 70.03 112.491 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -100.23 118.53 61.16 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.639 0.733 . . . . 73.34 110.887 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 98.41 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.711 2.274 . . . . 73.01 112.335 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.88 -67.61 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 72.51 112.47 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -92.15 171.45 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 71.14 110.874 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -114.01 174.01 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 71.54 110.907 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -51.93 -40.98 61.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 74.3 110.903 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.92 -23.41 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 51.43 111.094 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.97 18.48 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 74.51 110.921 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.35 124.13 90.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.808 1.29 . . . . 75.3 108.263 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -13.32 34.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.637 2.224 . . . . 73.33 112.336 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.47 0.14 47.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 64.32 110.894 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 75.15 110.907 179.856 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 119.376 -0.345 . . . . 70.13 110.87 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.9 t -124.66 117.14 23.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 74.51 108.343 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.79 28.61 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.039 -0.982 . . . . 71.1 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.78 -35.99 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.936 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.1 p -130.1 14.42 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 72.43 108.286 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.35 20.82 9.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.01 -0.996 . . . . 73.34 110.9 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.03 156.97 49.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 71.23 112.498 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.64 97.38 5.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 73.23 110.818 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.64 -57.92 0.48 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 75.43 112.511 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -86.6 -173.53 4.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.766 0.317 . . . . 75.41 110.834 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -118.29 151.46 37.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.894 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.9 -36.01 71.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 75.3 111.056 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -62.37 -22.17 65.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.89 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -115.86 15.37 16.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 71.41 110.863 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 72.31 108.315 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.706 0.289 . . . . 73.43 111.102 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.54 134.39 50.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.946 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.42 -22.33 40.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 71.52 112.501 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.89 144.76 25.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 119.299 -0.381 . . . . 73.32 110.948 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.3 t -99.47 152.35 20.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 74.04 108.297 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -110.84 -30.1 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.984 -1.007 . . . . 75.4 110.88 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.5 m -62.32 -47.4 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 73.1 111.087 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.1 p -106.7 -40.23 5.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 72.52 108.302 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.34 37.53 4.02 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.028 -0.987 . . . . 64.1 112.516 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.26 120.91 46.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 74.53 110.874 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 83.99 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.684 2.256 . . . . 74.4 112.38 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.37 -33.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 75.32 112.467 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -136.78 -178.38 5.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 74.22 110.914 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.46 165.07 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.865 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -51.51 -38.52 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 74.1 110.925 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.49 50.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 61.4 111.105 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -127.43 31.49 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.919 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.7 t -73.6 126.23 89.94 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 122.851 1.31 . . . . 73.2 108.304 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -11.94 31.93 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 73.32 112.36 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.62 -0.57 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.886 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.882 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 119.289 -0.386 . . . . 74.52 110.821 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t -123.68 117.38 24.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 70.34 108.364 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.07 29.17 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.012 -0.995 . . . . 73.33 110.939 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.59 -35.93 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.861 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.8 p -130.35 14.35 5.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.62 1.2 . . . . 62.41 108.345 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 59.34 20.92 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.997 -1.001 . . . . 73.43 110.848 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.32 158.08 48.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 44.2 112.49 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -124.57 98.72 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 74.21 110.84 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.25 -57.82 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 74.13 112.453 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -86.42 -173.52 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 73.04 110.862 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -118.53 150.73 39.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 75.33 110.873 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.98 -39.94 72.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 70.33 111.149 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -61.7 -23.24 65.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.875 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.66 17.08 15.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.852 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.7 t . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 74.34 108.284 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.855 0.36 . . . . 74.12 111.125 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -64.56 87.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.878 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.92 -18.28 0.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 74.22 112.432 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.85 112.56 24.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 119.348 -0.358 . . . . 64.33 110.826 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -55.26 138.76 44.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 73.3 108.341 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -106.26 39.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.029 -0.987 . . . . 74.13 110.88 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.0 m -139.87 -48.64 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.32 111.147 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -110.47 -37.36 5.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 53.52 108.319 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.72 31.04 4.07 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.021 -0.99 . . . . 52.44 112.43 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -98.85 118.49 62.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.687 0.756 . . . . 71.33 110.814 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 91.92 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.624 2.216 . . . . 72.11 112.384 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 167.88 -70.04 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 64.14 112.499 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -88.78 172.16 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.309 . . . . 71.45 110.958 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.13 173.2 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 73.44 110.881 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -50.41 -41.91 52.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 74.32 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.84 -29.48 69.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.105 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -109.92 18.05 20.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 62.11 110.908 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.1 t -74.62 124.01 89.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.736 1.255 . . . . 73.23 108.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -12.73 33.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.71 2.273 . . . . 74.23 112.316 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -98.54 0.27 44.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 72.03 110.895 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.925 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 119.311 -0.376 . . . . 73.24 110.916 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -123.6 117.13 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.54 108.292 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.01 29.09 2.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.985 -1.007 . . . . 70.11 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.19 -35.79 2.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.901 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.6 p -130.29 14.24 5.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 72.21 108.344 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.91 20.38 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.99 -1.004 . . . . 63.55 110.883 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.53 159.29 45.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 75.42 112.442 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.9 mtp -126.49 96.82 4.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 74.24 110.845 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.29 -56.63 0.49 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 75.21 112.436 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -87.34 -174.16 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 72.14 110.873 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -117.71 148.14 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 65.31 110.904 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.22 -46.33 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 74.44 111.089 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -27.31 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 73.31 110.862 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -98.59 -17.63 18.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.55 110.852 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 74.32 108.33 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.832 0.348 . . . . 75.33 111.131 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.73 131.28 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.14 110.833 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.36 -28.9 10.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 62.05 112.494 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.1 120.12 41.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 119.308 -0.377 . . . . 73.23 110.96 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.8 t -68.18 150.22 48.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 73.01 108.266 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -114.7 -24.83 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.001 -0.999 . . . . 74.25 110.887 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.0 m -64.54 -44.22 91.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 74.3 111.115 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.7 p -112.74 -38.16 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 63.44 108.259 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.29 34.73 4.11 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.024 -0.989 . . . . 63.45 112.488 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 t -98.7 120.47 58.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.676 0.751 . . . . 73.45 110.905 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 92.03 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.669 2.246 . . . . 74.43 112.373 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.23 -68.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 71.11 112.474 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -91.47 -172.15 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.744 0.306 . . . . 73.34 110.861 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.99 177.09 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 65.2 110.856 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -50.5 -44.58 56.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 72.15 110.924 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.27 52.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 62.21 111.108 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -124.9 31.52 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.909 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.3 t -83.22 120.78 76.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.773 1.273 . . . . 74.31 108.351 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -14.28 35.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 72.41 112.373 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -96.3 0.32 50.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 73.11 110.925 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 74.31 110.916 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 119.309 -0.377 . . . . 73.51 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.9 t -125.05 116.83 22.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 75.22 108.24 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.88 28.77 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.997 -1.001 . . . . 75.01 110.904 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.64 -35.93 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.88 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.8 p -130.29 14.37 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 74.41 108.294 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 59.72 20.45 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.979 -1.009 . . . . 75.2 110.85 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.24 157.5 49.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 64.31 112.502 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.36 97.94 5.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 74.01 110.812 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.21 -57.9 0.49 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.778 -0.725 . . . . 43.42 112.564 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -86.12 -173.69 4.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.786 0.327 . . . . 71.05 110.855 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -117.42 150.39 38.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.54 -37.65 73.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 73.52 111.085 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -21.9 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.871 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -114.81 13.76 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 71.32 110.96 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 73.53 108.325 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.866 0.365 . . . . 75.13 111.111 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 130.28 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.923 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.74 -28.71 13.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 60.55 112.541 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -92.6 112.84 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 119.285 -0.388 . . . . 73.14 110.912 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 t -71.58 146.84 48.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 71.24 108.285 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -111.93 -24.7 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.038 -0.983 . . . . 74.13 110.901 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -65.59 -40.8 93.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 73.12 111.1 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.0 p -112.62 -39.0 4.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 71.41 108.279 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.42 38.34 3.29 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.035 -0.984 . . . . 63.25 112.507 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.83 129.56 23.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.733 0.778 . . . . 52.24 110.844 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 53.9 Cg_endo -69.81 170.53 16.43 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.584 2.19 . . . . 75.21 112.34 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.37 -18.36 57.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 71.22 112.551 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -154.46 171.52 19.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 64.22 110.88 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.99 179.3 5.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.226 -0.443 . . . . 72.34 110.869 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.98 -43.52 40.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 75.21 110.87 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.19 -31.4 65.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 74.05 111.085 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -117.52 29.65 7.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 74.1 110.836 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 t -77.89 124.73 86.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.774 1.273 . . . . 70.21 108.344 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.79 -10.57 28.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 74.12 112.28 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -100.79 0.39 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 74.43 110.853 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 75.23 110.912 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 119.308 -0.377 . . . . 71.31 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -124.48 117.17 23.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 70.43 108.309 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -94.99 28.55 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.956 -1.02 . . . . 75.41 110.94 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.53 -36.19 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 70.21 110.955 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.0 p -129.93 14.53 5.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 70.14 108.269 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 59.41 20.67 9.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.003 -0.999 . . . . 75.43 110.886 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.04 157.49 48.85 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 62.44 112.47 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -124.07 97.87 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 64.44 110.891 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.0 -57.31 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 40.24 112.466 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -87.18 -173.57 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 72.24 110.888 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -118.31 151.22 38.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.937 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.09 -35.23 71.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 65.24 111.081 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -22.28 66.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.891 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -115.61 14.9 16.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 73.24 110.901 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 61.11 108.37 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.813 0.339 . . . . 75.33 111.139 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 128.52 24.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.94 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.61 -27.95 16.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.789 -0.72 . . . . 74.15 112.505 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.68 124.57 48.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 119.288 -0.387 . . . . 72.32 110.922 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.1 t -73.44 150.47 41.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 74.15 108.295 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -115.69 -24.22 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.002 -0.999 . . . . 74.34 110.891 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.3 m -65.22 -43.46 91.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 72.23 111.154 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -112.69 -38.07 4.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 74.41 108.249 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.6 35.03 3.92 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.075 -0.966 . . . . 75.33 112.472 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.58 119.57 59.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 75.3 110.848 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 92.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.757 2.304 . . . . 73.33 112.336 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.89 -67.1 0.2 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 74.2 112.514 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -92.83 -172.7 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 74.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.18 177.7 7.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.963 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -50.28 -43.14 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.881 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.26 -29.47 63.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 74.35 111.083 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -119.26 28.28 8.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.54 110.997 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.0 t -84.2 124.16 74.4 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 122.804 1.287 . . . . 73.31 108.278 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -12.52 33.05 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.672 2.248 . . . . 73.4 112.301 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.62 0.7 45.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 74.1 110.906 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.88 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 119.283 -0.389 . . . . 74.35 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -123.44 117.38 25.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 72.23 108.288 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.27 28.66 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.995 -1.002 . . . . 74.55 110.845 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.78 -36.1 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.929 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.94 14.47 5.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 72.03 108.362 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.39 20.68 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.966 -1.015 . . . . 75.01 110.912 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.77 158.47 47.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.784 -0.722 . . . . 64.25 112.542 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 ttt -125.06 97.93 5.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.894 0.378 . . . . 74.35 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.73 -57.46 0.5 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 72.4 112.514 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -86.83 -173.67 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 73.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -118.12 151.63 37.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.935 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.6 -37.11 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 51.51 111.021 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -62.17 -22.15 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 74.03 110.882 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -116.46 16.31 15.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 73.35 110.947 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 75.42 108.415 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.35 . . . . 75.31 111.111 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 135.0 28.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 74.23 110.815 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.09 -22.63 39.68 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 62.11 112.468 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.18 122.86 47.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.319 -0.372 . . . . 74.44 110.876 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.1 t -69.45 150.67 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 71.12 108.306 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -116.14 -23.82 8.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.022 -0.99 . . . . 75.22 110.879 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 m -66.07 -43.49 87.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.23 111.157 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.0 p -111.73 -37.97 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 74.32 108.276 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.02 35.27 4.02 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.026 -0.988 . . . . 73.12 112.462 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 t -100.59 119.07 59.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.646 0.736 . . . . 71.32 110.862 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 94.27 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 73.2 112.359 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.7 -65.7 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 74.11 112.51 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -94.41 -174.19 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 74.31 110.867 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.6 176.6 8.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 75.34 110.94 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -51.51 -42.84 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 72.01 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.25 61.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 63.1 111.077 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -122.93 26.22 8.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.903 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -81.11 124.14 81.3 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 122.775 1.274 . . . . 74.34 108.361 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -12.11 32.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.654 2.236 . . . . 73.21 112.326 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -98.75 0.58 44.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 75.25 110.891 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 75.43 110.927 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 119.204 -0.427 . . . . 73.51 110.958 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.8 t -118.46 118.26 31.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 74.51 108.349 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.23 31.43 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.016 -0.993 . . . . 63.5 110.928 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.27 -35.47 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.848 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 p -131.25 14.9 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 61.54 108.273 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.9 t30 59.17 20.65 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.981 -1.009 . . . . 71.43 110.932 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.83 160.21 38.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.786 -0.721 . . . . 72.22 112.487 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.01 95.32 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.331 . . . . 71.35 110.897 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.57 -57.93 0.48 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.723 -0.751 . . . . 74.31 112.449 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -86.41 -173.15 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 73.23 110.863 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -120.02 153.19 36.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 74.51 110.816 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.99 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 71.51 111.118 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -21.61 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.894 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -121.8 24.91 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 71.53 110.892 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 74.24 108.25 -179.909 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.778 0.323 . . . . 63.51 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.61 129.75 40.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 75.4 110.865 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.65 -23.33 36.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 65.25 112.535 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.23 118.67 37.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 119.31 -0.376 . . . . 73.2 110.874 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -67.43 150.4 48.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 62.22 108.358 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -115.51 -24.25 8.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.113 -0.949 . . . . 70.11 110.967 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.5 m -65.45 -43.98 88.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 71.53 111.194 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.6 -38.02 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 75.14 108.254 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.39 34.95 4.01 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.018 -0.992 . . . . 63.11 112.482 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.47 118.28 62.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.758 . . . . 65.51 110.887 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 90.24 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.651 2.234 . . . . 74.04 112.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.07 -63.38 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.821 -0.704 . . . . 71.32 112.54 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -96.99 -173.92 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 64.42 110.849 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.04 176.13 8.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.861 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.4 -42.87 61.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 73.51 110.88 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.68 -25.32 62.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 74.21 111.07 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -121.65 26.12 8.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 71.04 110.913 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -81.34 124.21 80.71 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 122.793 1.282 . . . . 73.24 108.34 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -12.2 32.36 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.677 2.251 . . . . 72.13 112.379 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -97.8 0.04 46.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 73.05 110.874 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.845 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 119.352 -0.356 . . . . 74.34 110.835 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.4 t -118.74 118.6 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 75.1 108.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.11 31.62 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.93 -1.032 . . . . 64.31 110.889 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.82 -35.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 75.12 110.895 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 p -131.71 14.84 4.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 52.34 108.302 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 58.95 20.88 8.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.959 -1.019 . . . . 74.22 110.91 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.14 157.75 39.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 74.42 112.488 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.0 ttm -123.5 94.08 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 71.21 110.896 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.27 -56.91 0.48 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 74.33 112.468 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -88.03 -172.93 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.757 0.313 . . . . 74.33 110.852 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.32 154.14 36.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 74.05 110.846 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.67 -42.83 75.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 72.13 111.133 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -59.68 -22.33 61.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 70.23 110.865 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -122.86 26.22 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.867 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 73.15 108.319 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.75 0.31 . . . . 75.43 111.086 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -65.37 89.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 70.24 110.902 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.32 -9.95 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 44.32 112.493 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.22 118.78 33.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 119.36 -0.352 . . . . 74.3 110.928 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.7 t -60.57 142.33 55.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 64.4 108.289 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -110.3 38.87 2.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.002 -0.999 . . . . 75.4 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.6 m -139.93 -48.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 72.44 111.159 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.29 -37.57 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 74.44 108.263 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.27 30.16 4.25 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.002 -0.999 . . . . 62.12 112.453 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -100.09 118.36 61.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.683 0.754 . . . . 72.53 110.885 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 98.38 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 73.14 112.339 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.7 -67.18 0.25 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 75.2 112.509 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -92.38 171.17 9.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 73.35 110.905 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.39 173.33 6.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 73.53 110.989 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -50.18 -40.59 47.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.69 70.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 64.14 111.116 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -109.24 17.32 21.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 73.53 110.969 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -74.08 124.36 89.99 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 122.788 1.28 . . . . 75.11 108.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -12.01 32.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 2.285 . . . . 74.31 112.342 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -98.27 0.5 45.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.852 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 63.12 110.885 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 119.352 -0.356 . . . . 75.25 110.826 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -120.73 117.89 28.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 75.54 108.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -94.69 31.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.993 -1.003 . . . . 75.15 110.873 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.45 -35.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.889 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.2 p -131.85 15.06 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 73.54 108.371 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.13 19.22 8.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.936 -1.029 . . . . 74.24 110.937 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.44 162.59 28.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 63.41 112.483 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -132.21 90.9 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 74.44 110.837 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.95 -47.01 0.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 71.32 112.507 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -97.77 -173.85 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.826 0.346 . . . . 73.45 110.871 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -116.53 150.91 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.886 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.46 -40.99 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 73.24 111.079 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -60.64 -24.28 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 74.12 110.897 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -117.26 22.77 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 73.12 110.98 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 75.03 108.307 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.715 0.293 . . . . 52.33 111.077 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -63.48 88.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.866 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.69 -14.35 0.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 53.31 112.49 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.95 121.74 43.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 119.318 -0.373 . . . . 60.24 110.895 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -64.24 140.77 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 74.12 108.242 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -108.1 39.66 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.997 -1.001 . . . . 75.32 110.919 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.1 m -140.43 -48.38 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 72.42 111.122 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -110.54 -37.35 5.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 74.15 108.322 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.01 30.03 4.37 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 114.945 -1.025 . . . . 63.04 112.493 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -99.39 118.6 62.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 73.31 110.885 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 96.72 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.725 2.283 . . . . 72.21 112.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.38 -68.82 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 54.11 112.528 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -90.48 171.46 9.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 72.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -114.03 173.96 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.922 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.87 -40.78 63.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 72.45 110.92 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.78 -18.13 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.01 111.061 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.27 16.97 9.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 72.05 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.8 t -71.23 124.27 90.71 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.832 1.301 . . . . 64.42 108.266 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -12.96 33.89 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.684 2.256 . . . . 71.53 112.368 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -97.27 1.17 49.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 75.02 110.953 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.85 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 119.318 -0.372 . . . . 73.3 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.4 t -123.6 117.19 24.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 64.12 108.284 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.96 28.77 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.02 -0.991 . . . . 72.1 110.854 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.91 -36.09 2.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.9 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -130.06 14.35 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 63.33 108.333 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 59.61 20.78 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.969 -1.014 . . . . 75.51 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.96 158.11 48.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.776 -0.726 . . . . 74.44 112.455 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.0 ttm -124.63 97.73 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.839 0.352 . . . . 74.44 110.908 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.89 -57.69 0.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.69 -0.767 . . . . 62.02 112.464 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -86.55 -173.4 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 73.34 110.882 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.56 151.27 38.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.11 110.935 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.24 -37.71 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 72.3 111.042 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -22.22 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.875 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.64 16.04 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.886 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.1 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 75.42 108.343 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.717 0.294 . . . . 75.34 111.048 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 135.05 26.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 75.05 110.917 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.3 -22.22 41.97 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 70.34 112.512 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.04 123.4 48.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 119.251 -0.404 . . . . 74.34 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.21 148.32 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.614 1.196 . . . . 62.45 108.335 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -114.35 -23.42 9.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.002 -0.999 . . . . 65.31 110.914 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.7 m -66.74 -43.14 84.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 63.31 111.199 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -111.77 -36.94 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 72.32 108.288 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.59 35.29 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.022 -0.99 . . . . 70.51 112.471 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.2 m -106.0 115.4 61.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.639 0.733 . . . . 72.13 110.787 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 96.42 0.6 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.694 2.263 . . . . 71.01 112.306 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.2 -26.06 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.743 . . . . 75.32 112.493 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -140.72 -175.04 4.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 70.02 110.828 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -129.46 178.21 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.959 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.4 -43.5 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 74.33 110.892 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.63 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.31 111.076 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -122.77 27.26 7.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 75.42 110.88 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.0 t -81.51 124.24 80.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.857 1.313 . . . . 74.12 108.285 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -12.41 32.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.799 2.333 . . . . 75.12 112.329 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -98.81 0.25 43.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.871 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.925 179.882 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 119.291 -0.385 . . . . 74.12 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.9 t -121.0 117.42 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 74.41 108.269 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -94.72 29.98 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.942 -1.027 . . . . 75.15 110.971 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.37 -35.51 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 72.53 110.848 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.3 p -130.9 14.6 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 71.22 108.301 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 59.78 20.19 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.03 -0.986 . . . . 65.21 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.45 161.37 38.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 64.44 112.506 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -128.56 95.32 4.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 71.22 110.97 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.52 -56.76 0.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 73.1 112.447 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -86.84 -173.51 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 75.15 110.872 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -117.88 150.61 38.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 73.33 110.861 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.24 -37.33 72.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 75.52 111.127 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -62.3 -22.23 65.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 70.34 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.02 16.48 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 65.43 110.916 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 73.52 108.288 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.779 0.323 . . . . 64.54 111.106 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 130.33 42.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.843 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.43 -22.69 39.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 74.13 112.478 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.06 119.8 39.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 119.277 -0.392 . . . . 65.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.16 150.59 48.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 74.34 108.243 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -115.92 -23.79 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.982 -1.008 . . . . 74.53 110.916 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.4 m -65.99 -43.73 86.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 75.43 111.1 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.51 -38.01 5.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 71.04 108.35 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 34.98 3.99 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 114.921 -1.036 . . . . 61.02 112.516 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -99.92 118.32 61.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 64.31 110.875 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 91.3 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.746 2.297 . . . . 71.15 112.303 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.04 -63.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.663 -0.779 . . . . 74.23 112.41 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -96.69 -174.61 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 75.43 110.851 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.42 176.2 8.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.919 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -51.73 -42.68 62.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 62.33 110.902 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.97 -23.53 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.55 111.144 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -123.37 25.53 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 72.01 110.958 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.5 t -80.61 124.22 82.14 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 122.754 1.264 . . . . 62.22 108.319 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -12.01 32.03 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.675 2.25 . . . . 72.04 112.314 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 0.36 44.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.55 110.949 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.917 179.857 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 119.258 -0.401 . . . . 71.03 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t -123.67 117.18 24.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 73.04 108.3 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.98 29.17 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.98 -1.009 . . . . 64.54 110.925 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.4 -35.66 2.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.966 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.7 p -130.51 14.32 5.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 72.35 108.257 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 m120 59.16 21.12 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.027 -0.988 . . . . 72.12 110.911 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.93 159.14 49.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.761 . . . . 55.45 112.509 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.6 ttt -125.77 100.8 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 65.1 110.907 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.31 -53.59 0.58 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.683 -0.77 . . . . 64.04 112.441 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -91.51 -173.52 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 71.33 110.881 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.45 151.47 37.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 62.11 110.877 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.27 -37.35 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.061 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -22.47 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 74.15 110.869 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -116.1 15.97 16.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.879 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 74.03 108.29 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.802 0.334 . . . . 73.21 111.106 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.29 126.24 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.846 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.33 -31.99 5.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.658 -0.782 . . . . 74.45 112.47 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.41 123.86 51.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 119.291 -0.385 . . . . 71.34 110.975 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -70.96 150.57 45.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 63.53 108.275 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -116.27 -24.36 7.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.011 -0.995 . . . . 72.21 110.904 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.6 m -64.91 -43.0 94.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 72.1 111.164 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.41 -38.33 4.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 72.15 108.32 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.17 34.43 3.96 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 114.988 -1.006 . . . . 71.43 112.473 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -100.44 119.75 58.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 72.42 110.947 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 96.23 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.272 . . . . 62.03 112.295 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.51 -65.58 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 75.4 112.464 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -94.85 -172.99 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.705 0.288 . . . . 75.02 110.916 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.41 178.07 7.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 75.41 110.91 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -49.88 -43.22 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.915 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.67 64.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 62.04 111.091 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -118.16 28.42 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.33 110.934 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 t -84.36 124.23 74.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.801 1.286 . . . . 74.43 108.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -12.54 33.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 75.34 112.309 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -98.24 0.66 46.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.947 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 65.41 110.895 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 119.351 -0.357 . . . . 72.12 110.814 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -118.66 118.36 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 63.33 108.223 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.19 31.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.943 -1.026 . . . . 72.43 110.888 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.99 -35.33 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 74.24 110.915 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.0 p -131.36 14.66 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 64.41 108.295 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.05 21.0 8.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.018 -0.992 . . . . 75.21 110.856 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.19 159.17 41.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.728 . . . . 73.44 112.493 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.9 tpp -124.34 95.86 4.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 73.22 110.96 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.09 -58.42 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 71.23 112.486 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -86.41 -173.0 4.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 54.22 110.848 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -121.09 153.26 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 72.4 110.873 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.6 -44.53 73.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 72.13 111.145 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -23.79 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.88 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.05 19.24 15.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 72.15 110.919 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 71.4 108.297 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.826 0.346 . . . . 71.1 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.82 133.34 37.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 75.35 110.875 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.98 -22.8 37.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 72.41 112.525 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.34 122.73 46.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 119.252 -0.404 . . . . 72.11 110.958 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -72.16 149.73 44.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 72.22 108.277 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -115.11 -23.29 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.999 -1.0 . . . . 71.13 110.935 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -66.54 -43.56 84.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 72.33 111.145 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -111.77 -38.28 4.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 53.12 108.201 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.64 34.89 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.063 -0.972 . . . . 64.41 112.444 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -101.89 115.19 65.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.739 . . . . 65.33 110.868 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 91.3 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 73.11 112.37 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.91 -42.84 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 74.54 112.51 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -120.94 -176.04 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 74.41 110.81 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.91 175.98 8.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 72.3 110.954 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -52.93 -39.17 62.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.951 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.65 -18.72 55.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.095 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -130.1 24.04 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 73.13 110.956 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.9 t -78.07 124.31 86.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 122.786 1.279 . . . . 64.52 108.283 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -11.91 31.73 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.746 2.297 . . . . 73.31 112.317 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.52 0.13 44.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.887 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.872 179.826 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 119.349 -0.358 . . . . 71.32 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.7 t -123.33 117.39 25.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 73.34 108.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 28.87 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.987 -1.006 . . . . 74.05 110.955 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.04 -36.19 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 72.12 110.907 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.82 14.38 5.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 72.33 108.319 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m120 59.44 20.86 9.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.99 -1.005 . . . . 61.43 110.916 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.96 158.18 47.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.732 . . . . 71.01 112.5 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.7 mtm -124.42 98.32 5.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 75.15 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.22 -57.32 0.51 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 62.21 112.494 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -87.35 -173.42 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 73.23 110.861 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -118.99 151.79 37.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 73.31 110.859 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.37 -37.63 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 64.03 111.101 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -61.83 -22.49 65.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 72.01 110.91 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -117.28 16.75 14.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 71.31 110.925 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 52.51 108.32 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.715 0.293 . . . . 73.33 111.111 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 131.13 45.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 73.34 110.839 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.55 -22.47 40.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 74.25 112.481 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.01 118.94 37.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 119.326 -0.368 . . . . 74.44 110.896 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.3 t -66.84 150.43 49.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 74.14 108.311 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -115.69 -23.96 8.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.012 -0.995 . . . . 73.44 110.863 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.8 m -65.99 -43.49 87.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.099 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.64 -37.99 5.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 73.14 108.265 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.19 35.16 4.0 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.017 -0.992 . . . . 71.31 112.47 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -100.16 118.36 61.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.585 0.707 . . . . 74.2 110.906 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 91.26 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.676 2.25 . . . . 75.23 112.365 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.24 -63.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 75.24 112.467 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -96.67 -174.32 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 74.33 110.884 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.68 175.34 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 73.34 110.885 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -51.5 -43.94 62.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.847 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.62 50.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 63.02 111.088 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.32 28.87 5.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 74.53 110.947 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.9 t -79.86 120.91 81.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.768 1.271 . . . . 73.22 108.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -13.83 35.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.259 . . . . 71.31 112.349 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.18 0.33 48.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 74.35 110.941 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 74.52 110.877 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 119.276 -0.392 . . . . 62.25 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.2 t -123.96 117.19 24.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 73.32 108.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.06 28.21 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.982 -1.008 . . . . 75.3 110.917 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.25 -36.4 2.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.933 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.56 14.43 6.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 64.12 108.283 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.46 20.79 9.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.004 -0.998 . . . . 74.21 110.9 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.2 157.86 48.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 71.5 112.449 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mtp -124.33 98.7 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 73.25 110.947 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.17 -56.57 0.52 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 52.4 112.501 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -88.27 -173.51 4.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 71.54 110.805 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -118.43 151.89 36.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 71.04 110.929 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.26 -35.23 71.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 72.52 111.101 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -21.99 65.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 75.22 110.904 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.36 15.72 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.903 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 64.34 108.267 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.491 -0.244 . . . . 74.4 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -76.42 71.74 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.861 0.362 . . . . 74.41 110.878 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.71 11.58 21.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 62.35 111.145 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 129.59 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.843 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.78 -25.45 16.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 75.22 112.563 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -112.85 116.38 29.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 119.341 -0.361 . . . . 75.54 110.902 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 t -68.32 147.02 52.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 73.15 108.317 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.458 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.6 t80 -111.86 -24.15 10.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.01 -0.996 . . . . 74.15 110.903 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -65.89 -41.35 91.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 75.23 111.091 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -113.07 -39.4 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 73.15 108.307 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.07 36.14 3.48 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.055 -0.975 . . . . 72.11 112.451 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.48 129.6 24.37 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.679 0.752 . . . . 75.44 110.858 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.82 167.25 25.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 73.04 112.324 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.73 -27.21 20.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 64.41 112.466 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -145.11 174.81 10.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 74.52 110.871 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.3 178.55 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 71.25 110.917 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -49.53 -43.25 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 72.52 110.9 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.55 -30.57 63.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 54.25 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -120.0 31.02 6.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 73.12 110.922 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 t -78.02 124.91 86.0 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 122.762 1.268 . . . . 71.14 108.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -13.1 34.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 73.41 112.35 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -97.39 0.26 47.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 73.41 110.901 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 106.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 75.11 110.898 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.16 -66.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 73.52 110.867 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.63 -173.78 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 71.43 110.912 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t 61.03 48.12 6.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 61.15 110.866 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.01 -89.91 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 74.43 112.514 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -154.03 -61.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 72.21 110.874 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.5 m 59.28 97.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 61.44 110.856 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -80.77 -68.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.22 110.894 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -163.98 29.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 61.14 110.906 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -101.95 173.32 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.05 110.885 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -123.85 117.5 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 55.42 108.303 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.0 29.63 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.982 -1.008 . . . . 73.45 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.97 -35.68 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 75.4 110.944 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.1 p -130.74 14.5 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 63.33 108.295 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 59.48 20.6 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.013 -0.994 . . . . 74.33 110.856 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.58 157.79 47.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 60.31 112.479 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 33.8 mtp -124.29 97.37 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 74.14 110.882 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.28 -57.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 75.4 112.521 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -87.27 -173.44 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 75.43 110.833 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -118.46 152.33 36.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 74.23 110.897 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.09 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 64.34 111.076 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -22.0 65.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 71.25 110.88 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -117.35 18.85 14.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 61.03 110.964 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.5 t -85.5 125.47 33.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 72.2 108.307 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.39 167.24 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.99 -1.004 . . . . 71.53 110.868 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -118.05 150.28 39.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 70.33 110.884 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.12 -74.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.85 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.839 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.89 8.1 . 0.0 '__' . 73.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.022 8.247 . 0.453 1L . 74.24 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 C1'-O4'-C4' 116.809 8.01 . 0.562 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 116.839 8.043 . 0.634 1a . 73.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 93.334 -8.69 . 0.727 1a . 75.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.003 8.225 . 0.572 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 116.971 8.19 . 0.835 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 3 C1'-O4'-C4' 116.998 8.221 . 0.53 1a . 75.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 1 C1'-O4'-C4' 113.461 4.29 OUTLIER-DELTA 0.0 OUTLIER . 73.04 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 91.819 -9.772 . 0.0 OUTLIER . 74.31 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 91.352 -10.106 . 0.0 OUTLIER gamma 74.4 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 O4'-C4'-C3' 92.04 -9.614 . 0.0 OUTLIER gamma 75.14 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 C1'-O4'-C4' 116.796 7.996 . 0.081 1L . 74.41 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 117.178 8.42 . 0.6 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 O4'-C4'-C3' 92.397 -9.359 . 0.858 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.356 7.507 . 0.0 OUTLIER gamma 72.41 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 3 C1'-O4'-C4' 116.826 8.029 . 0.0 OUTLIER . 74.51 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 116.829 8.032 . 0.187 1a . 75.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 94.138 -8.115 . 0.803 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 O4'-C4'-C3' 94.119 -8.129 . 0.786 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 3 O4'-C4'-C3' 93.718 -8.415 . 0.577 1a . 75.4 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.241 8.49 . 0.018 1L . 75.11 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 3 O4'-C4'-C3' 93.242 -8.755 . 0.0 OUTLIER . 75.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 1 O4'-C4'-C3' 90.504 -10.712 . 0.0 OUTLIER gamma 75.21 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 93.473 -8.591 . 0.0 OUTLIER . 75.42 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 3 C1'-O4'-C4' 116.851 8.056 . 0.01 1c . 73.14 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.84 8.044 . 0.0 OUTLIER . 73.44 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.782 7.98 . 0.0 OUTLIER '7D dist 5n wannabe' 75.43 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.79 7.989 . 0.489 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 93.964 -8.24 . 0.547 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 116.782 7.98 . 0.842 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 117.084 8.315 . 0.338 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 116.792 7.991 . 0.511 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 116.841 8.045 . 0.537 1a . 75.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 117.204 8.448 . 0.542 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 3 O4'-C4'-C3' 92.976 -8.946 . 0.616 1a . 72.22 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 116.824 8.026 . 0.243 1L . 75.22 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 3 O4'-C4'-C3' 91.958 -9.673 . 0.0 OUTLIER . 75.23 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 92.075 -9.59 . 0.0 OUTLIER . 71.44 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 93.615 -8.489 . 0.0 OUTLIER . 75.43 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.855 1 C1'-O4'-C4' 114.941 5.934 . 0.0 OUTLIER gamma 75.23 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 3 O4'-C4'-C3' 91.609 -9.922 . 0.019 1e . 73.31 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 O4'-C4'-C3' 92.665 -9.168 . 0.342 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 92.341 -9.399 . 0.592 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 116.885 8.094 . 0.603 1a . 75.24 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 117.298 8.553 . 0.141 1L . 75.31 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 116.841 8.045 . 0.0 OUTLIER zeta-1 75.04 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 117.301 8.557 . 0.0 OUTLIER . 73.54 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 C1'-O4'-C4' 116.905 8.116 . 0.0 OUTLIER . 74.22 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 116.829 8.033 . 0.454 1L . 74.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.943 8.159 . 0.469 1a . 73.32 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.811 8.012 . 0.659 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.853 8.059 . 0.494 1a . 74.03 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.802 8.002 . 0.1 1L . 74.51 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.883 8.092 . 0.0 OUTLIER zeta-1 75.24 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 116.847 8.052 . 0.01 1m . 75.14 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.007 8.229 . 0.429 1L . 74.1 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 117.124 8.36 . 0.167 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.458 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.9 3 O4'-C4'-C3' 93.61 -8.493 . 0.019 1g . 75.13 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.343 -9.168 0 C3'-C2'-O2' 102.688 -3.659 OUTLIER-DELTA 0.0 OUTLIER delta 74.35 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 1 O4'-C4'-C3' 90.144 -10.968 . 0.0 OUTLIER delta-1 71.32 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 94.076 -8.16 . 0.0 OUTLIER gamma 74.53 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 91.752 -9.82 . 0.416 1L . 75.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 1 O4'-C4'-C3' 91.526 -9.981 . 0.152 1a . 73.1 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.488 2 C1'-O4'-C4' 116.556 7.729 . 0.0 OUTLIER '7D dist 5n wannabe' 74.31 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 94.055 -8.175 . 0.0 OUTLIER '7D dist 1a' 75.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.829 8.032 . 0.398 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.804 8.004 . 0.0 OUTLIER . 74.22 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 C1'-O4'-C4' 117.18 8.423 . 0.328 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.81 8.011 . 0.418 1a . 72.15 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 116.796 7.995 . 0.32 1a . 75.04 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.778 7.976 . 0.746 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.043 8.27 . 0.715 1a . 72.04 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.039 8.266 . 0.788 1a . 75.24 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 C1'-O4'-C4' 116.833 8.037 . 0.796 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.45 -0.26 . . . . 52.4 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.47 -32.27 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 75.15 110.865 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 67.31 10.8 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.33 111.101 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.2 128.39 30.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.15 110.892 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.05 -28.03 14.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 74.21 112.433 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.67 124.51 46.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 119.359 -0.353 . . . . 71.45 110.884 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.4 t -75.23 150.55 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 74.21 108.284 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.41 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 3.3 t80 -115.5 -24.88 8.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.968 -1.015 . . . . 73.41 110.892 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -64.51 -43.2 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 75.42 111.131 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.94 -38.31 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 72.02 108.333 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 35.37 3.83 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 114.945 -1.025 . . . . 53.43 112.499 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -100.21 118.34 61.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.739 . . . . 64.23 110.899 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 91.16 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.732 2.288 . . . . 73.33 112.344 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.29 -62.2 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.69 -0.767 . . . . 65.3 112.464 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -98.42 -172.07 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.333 . . . . 73.23 110.896 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.39 177.98 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 73.13 110.889 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -51.21 -42.68 61.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 75.03 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.93 -25.77 61.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 64.13 111.031 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -123.22 27.95 7.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 73.41 110.993 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 t -83.94 124.05 75.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.726 1.25 . . . . 74.0 108.272 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -12.39 32.65 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.598 2.199 . . . . 70.51 112.353 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -98.17 0.19 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.916 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -68.41 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 75.31 110.873 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.37 -173.29 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.88 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm -140.49 -74.41 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.929 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.03 165.66 33.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.994 0.426 . . . . 64.23 110.849 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.09 154.28 6.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.818 -0.706 . . . . 73.13 112.544 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -157.21 -74.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 70.54 110.828 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m 63.2 104.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.894 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -113.01 101.45 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 74.32 110.856 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.28 -169.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 73.24 110.896 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -93.7 167.97 11.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.813 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.5 t -119.38 117.57 28.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 64.32 108.313 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.67 31.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.039 -0.982 . . . . 73.43 110.906 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.71 -35.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.903 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.9 p -131.95 15.0 4.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 71.44 108.282 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.11 19.52 8.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.006 -0.997 . . . . 73.42 110.932 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.54 162.21 29.81 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.67 -0.776 . . . . 64.22 112.497 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.5 ttp -129.71 91.74 3.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 72.23 110.889 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.45 -55.4 0.46 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 53.41 112.461 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -88.4 -173.78 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 74.34 110.858 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.56 151.71 36.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 65.24 110.858 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.08 72.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 73.14 111.094 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.76 -23.68 63.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.87 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.48 18.57 16.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 75.35 110.984 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.4 t -85.31 139.56 31.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 75.03 108.32 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -72.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.0 -1.0 . . . . 72.04 110.858 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -177.77 141.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 70.05 110.868 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.21 157.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.13 110.87 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.888 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 117.052 8.28 . 0.0 '__' . 74.53 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.984 8.205 . 0.43 1a . 74.51 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.046 2 C1'-O4'-C4' 116.773 7.97 . 0.768 1a . 72.02 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 94.106 -8.139 . 0.752 1a . 73.52 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.13 8.367 . 0.192 1a . 73.3 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.833 2 C1'-O4'-C4' 116.958 8.176 . 0.618 1a . 75.35 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.833 2 C1'-O4'-C4' 117.078 8.309 . 0.343 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.178 8.42 . 0.02 1a . 75.22 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 O4'-C4'-C3' 92.422 -9.341 . 0.0 OUTLIER gamma 74.45 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 116.868 8.076 . 0.01 1c . 74.21 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 93.297 -8.717 . 0.0 OUTLIER gamma 73.33 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 O4'-C4'-C3' 92.791 -9.078 . 0.124 7a . 75.3 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.813 8.014 . 0.415 1a . 72.41 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 117.116 8.351 . 0.762 1a . 75.21 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 3 O4'-C4'-C3' 92.582 -9.227 . 0.659 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 3 C1'-O4'-C4' 117.151 8.389 . 0.0 OUTLIER . 72.14 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.963 8.181 . 0.0 OUTLIER . 74.33 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.864 8.071 . 0.56 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 C1'-O4'-C4' 116.961 8.179 . 0.835 1a . 73.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.18 8.423 . 0.807 1a . 75.22 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 93.475 -8.589 . 0.657 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.244 8.494 . 0.058 1L . 75.44 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 1 O4'-C4'-C3' 90.367 -10.809 . 0.0 OUTLIER . 74.5 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 1 O4'-C4'-C3' 90.58 -10.657 . 0.0 OUTLIER . 73.13 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 1 C1'-O4'-C4' 104.424 -5.751 OUTLIER-DELTA 0.0 OUTLIER . 72.01 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 116.798 7.998 . 0.0 OUTLIER gamma 75.25 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 116.83 8.033 . 0.0 OUTLIER . 74.24 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.768 7.964 . 0.0 OUTLIER gamma 75.12 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.777 7.974 . 0.524 1a . 74.2 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.952 8.169 . 0.23 1a . 75.3 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 116.807 8.008 . 0.694 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.09 2 C1'-O4'-C4' 117.08 8.311 . 0.726 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 116.816 8.018 . 0.7 1a . 72.25 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 116.758 7.954 . 0.793 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 C1'-O4'-C4' 117.179 8.421 . 0.639 1a . 74.02 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 117.275 8.528 . 0.673 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 116.839 8.043 . 0.01 1m . 74.43 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 92.121 -9.556 . 0.0 OUTLIER . 73.34 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 1 O4'-C4'-C3' 90.19 -10.936 . 0.0 OUTLIER gamma 73.41 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.863 8.07 . 0.0 OUTLIER . 73.31 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 117.011 8.234 . 0.0 OUTLIER gamma 74.51 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 91.269 -10.165 . 0.029 1e . 74.32 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 O4'-C4'-C3' 92.264 -9.454 . 0.204 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 91.95 -9.679 . 0.404 1a . 75.5 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.928 8.143 . 0.384 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 117.275 8.528 . 0.178 1L . 75.41 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 3 C1'-O4'-C4' 116.806 8.007 . 0.0 OUTLIER zeta-1 74.35 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 117.266 8.518 . 0.0 OUTLIER . 73.21 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.843 3 C1'-O4'-C4' 117.008 8.231 . 0.0 OUTLIER . 75.14 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 C1'-O4'-C4' 116.767 7.963 . 0.458 1L . 74.52 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 116.949 8.165 . 0.036 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 116.819 8.021 . 0.624 1a . 75.05 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.08 3 O4'-C4'-C3' 93.652 -8.463 . 0.546 1a . 74.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.886 8.095 . 0.064 1L . 75.22 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.072 2 C1'-O4'-C4' 117.052 8.28 . 0.0 OUTLIER zeta-1 75.23 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.803 8.003 . 0.425 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 117.172 8.413 . 0.378 1L . 72.43 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . 0.415 " H2'" ' C6 ' ' B' ' 219' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.485 2.68 2 C1'-O4'-C4' 116.525 7.695 . 0.179 1a . 73.11 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.41 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 O4'-C4'-C3' 91.7 -9.857 . 0.0 OUTLIER gamma 74.2 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.415 ' C6 ' " H2'" ' B' ' 217' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.363 -7.527 2 O4'-C4'-C3' 93.932 -8.263 . 0.0 OUTLIER . 73.42 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 1 O4'-C4'-C3' 90.451 -10.749 . 0.0 OUTLIER '7D dist 5n wannabe' 75.23 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.1 2 C1'-O4'-C4' 116.663 7.847 . 0.014 1a . 75.2 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 2 C1'-O4'-C4' 117.436 8.707 . 0.0 OUTLIER gamma 75.4 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 2 C1'-O4'-C4' 117.61 8.9 . 0.103 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 2 C1'-O4'-C4' 117.048 8.276 . 0.0 OUTLIER gamma 73.31 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 O4'-C4'-C3' 93.447 -8.609 . 0.346 7a . 72.12 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 3 O4'-C4'-C3' 94.263 -8.027 . 0.288 1a . 73.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 116.771 7.967 . 0.0 OUTLIER '7D dist 1L' 75.54 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 C1'-O4'-C4' 117.063 8.292 . 0.637 1a . 73.52 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.861 8.068 . 0.431 1a . 75.22 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.817 8.019 . 0.585 1a . 73.12 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 116.808 8.009 . 0.716 1a . 75.24 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 O4'-C4'-C3' 93.3 -8.714 . 0.675 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.989 8.21 . 0.425 1a . 75.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.812 2 C1'-O4'-C4' 116.808 8.009 . 0.677 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 112.543 -0.223 . . . . 63.11 112.543 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -138.66 145.88 40.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 72.03 110.914 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.52 17.6 1.03 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 73.24 111.146 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 135.36 28.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.868 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.52 -22.24 41.24 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.742 -0.742 . . . . 72.32 112.446 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.38 122.01 46.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 119.339 -0.363 . . . . 73.43 110.934 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.0 t -68.84 150.66 47.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 72.14 108.336 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -116.11 -23.94 8.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.015 -0.993 . . . . 71.12 110.88 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.3 m -65.87 -43.74 87.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 73.32 111.143 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 p -111.47 -38.08 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 74.43 108.276 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.11 35.35 3.97 Favored Glycine 0 N--CA 1.452 -0.243 0 CA-C-N 114.992 -1.004 . . . . 74.02 112.489 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -100.68 118.91 59.92 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.747 . . . . 74.14 110.912 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 93.98 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.743 2.296 . . . . 73.02 112.307 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.23 -64.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 71.31 112.507 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -96.0 -173.85 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 75.04 110.848 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.62 176.32 8.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.439 . . . . 74.23 110.995 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -51.45 -42.95 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 75.43 110.982 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.43 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 73.24 111.093 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -122.73 26.26 8.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 72.53 110.898 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -81.05 124.17 81.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 122.842 1.306 . . . . 74.4 108.283 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -12.05 32.17 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.625 2.216 . . . . 63.44 112.396 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.53 0.35 44.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 72.43 110.856 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -45.21 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.41 110.88 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -98.32 127.84 44.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.918 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.49 102.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 75.3 110.882 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 p -142.95 135.29 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.45 110.851 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.28 -69.04 1.0 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.638 -0.791 . . . . 53.53 112.451 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -131.08 134.82 46.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 71.04 110.887 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.07 176.7 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 71.15 110.93 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -113.21 161.67 16.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 55.34 26.7 8.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 70.14 110.86 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 -102.81 173.32 6.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 74.21 110.864 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.6 t -124.3 117.19 23.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 74.14 108.349 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.0 27.88 2.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.99 -1.005 . . . . 73.35 110.955 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.96 -36.19 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 74.12 110.959 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.8 14.48 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 74.35 108.285 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.43 20.71 9.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.035 -0.984 . . . . 71.14 110.892 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.19 157.59 49.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 74.02 112.447 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.2 mtp -124.09 98.5 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 74.41 110.889 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.4 -56.98 0.51 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.758 -0.734 . . . . 65.15 112.479 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -87.7 -173.65 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 71.03 110.873 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -118.34 151.46 37.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.31 110.907 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.13 -34.88 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 74.52 111.086 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -22.55 66.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 73.44 110.867 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -115.41 14.76 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 71.43 110.938 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.5 t -92.41 137.76 32.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 75.11 108.276 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 55.67 75.42 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.961 -1.018 . . . . 73.25 110.918 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -172.61 129.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.881 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 59.32 91.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 74.3 110.854 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 55.11 110.858 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 117.139 8.377 . 0.0 '__' . 73.44 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.874 8.082 . 0.711 1a . 71.12 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.78 7.978 . 0.534 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 117.029 8.254 . 0.572 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 O4'-C4'-C3' 93.57 -8.521 . 0.75 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 116.849 8.055 . 0.74 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 94.251 -8.035 . 0.841 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 94.071 -8.164 . 0.794 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 91.057 -10.317 . 0.0 OUTLIER gamma 74.41 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.032 1 O4'-C4'-C3' 90.189 -10.937 . 0.0 OUTLIER . 74.52 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 116.928 8.142 . 0.662 9a . 74.43 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 92.793 -9.076 . 0.027 7a . 73.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 116.802 8.002 . 0.654 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 117.018 8.242 . 0.572 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 O4'-C4'-C3' 93.399 -8.643 . 0.763 1a . 70.32 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 1 O4'-C4'-C3' 90.82 -10.486 . 0.0 OUTLIER . 73.31 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 117.205 8.45 . 0.0 OUTLIER . 74.54 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.02 2 C1'-O4'-C4' 116.842 8.046 . 0.511 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.042 2 O4'-C4'-C3' 93.473 -8.591 . 0.709 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.043 8.27 . 0.517 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 93.385 -8.654 . 0.655 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 C1'-O4'-C4' 117.242 8.491 . 0.051 1L . 70.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 1 O4'-C4'-C3' 91.166 -10.239 . 0.095 1f . 74.43 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 1 O4'-C4'-C3' 90.527 -10.695 . 0.0 OUTLIER . 75.3 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 91.16 -10.243 . 0.0 OUTLIER . 73.34 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.797 7.997 . 0.0 OUTLIER . 75.11 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.805 8.006 . 0.0 OUTLIER . 75.44 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 3 C1'-O4'-C4' 116.812 8.014 . 0.0 OUTLIER . 72.33 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.755 7.951 . 0.413 1a . 73.24 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.129 8.365 . 0.094 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.87 2 C1'-O4'-C4' 116.793 7.992 . 0.733 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 116.866 8.074 . 0.603 1a . 73.42 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.844 2 C1'-O4'-C4' 116.794 7.993 . 0.704 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 116.831 8.034 . 0.795 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.015 8.239 . 0.734 1a . 74.54 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 O4'-C4'-C3' 93.765 -8.382 . 0.683 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.854 8.061 . 0.082 1a . 75.31 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 91.31 -10.135 . 0.0 OUTLIER . 74.13 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 1 C1'-O4'-C4' 103.98 -6.245 OUTLIER-DELTA 0.0 OUTLIER gamma 75.13 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.953 8.17 . 0.0 OUTLIER '7D dist 5d' 74.4 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 117.231 8.479 . 0.0 OUTLIER '7D dist 3g wannabe' 74.44 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 O4'-C4'-C3' 91.751 -9.821 . 0.0 OUTLIER . 71.23 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 92.933 -8.977 . 0.794 1a . 73.34 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 94.088 -8.152 . 0.478 1a . 72.12 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.924 8.137 . 0.463 1a . 71.35 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.297 8.552 . 0.14 1L . 74.02 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 116.764 7.959 . 0.0 OUTLIER zeta-1 75.34 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.316 8.574 . 0.0 OUTLIER . 75.4 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.888 3 C1'-O4'-C4' 116.87 8.078 . 0.0 OUTLIER . 75.55 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.727 7.918 . 0.456 1L . 75.53 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.939 8.155 . 0.474 1a . 75.12 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.738 7.931 . 0.815 1a . 73.24 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.86 8.067 . 0.339 1a . 73.1 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.86 8.066 . 0.76 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.857 8.063 . 0.0 OUTLIER zeta-1 75.43 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.851 8.057 . 0.0 OUTLIER . 75.54 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 92.744 -9.111 . 0.605 1L . 72.5 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 94.191 -8.078 . 0.389 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.431 " O2'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.212 2 O4'-C4'-C3' 91.967 -9.666 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.22 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.431 ' OP1' " O2'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.388 -5.454 2 C1'-O4'-C4' 118.082 9.424 . 0.0 OUTLIER epsilon-1 75.34 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 1 O4'-C4'-C3' 91.189 -10.222 . 0.0 OUTLIER gamma 74.24 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.991 8.212 . 0.0 OUTLIER gamma 74.32 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.974 2 O4'-C4'-C3' 93.111 -8.849 . 0.01 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.041 1 O4'-C4'-C3' 92.373 -9.377 . 0.251 1a . 74.32 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 1 C1'-O4'-C4' 115.921 7.024 . 0.0 OUTLIER . 74.43 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 117.23 8.478 . 0.089 1a . 70.54 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 O4'-C4'-C3' 94.287 -8.009 . 0.291 1a . 74.33 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.726 7.918 . 0.0 OUTLIER . 75.55 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.14 8.378 . 0.755 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.829 8.032 . 0.72 1a . 75.31 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.843 8.048 . 0.741 1a . 73.41 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 116.855 8.061 . 0.749 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 93.921 -8.27 . 0.848 1a . 71.42 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.133 8.37 . 0.722 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 116.782 7.98 . 0.528 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.513 -0.235 . . . . 63.42 112.513 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 62.71 102.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 73.02 110.839 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.44 21.11 7.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 74.34 111.154 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -51.12 134.88 26.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.839 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.0 -22.59 40.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.69 -0.767 . . . . 74.51 112.443 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.8 124.76 50.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 119.301 -0.381 . . . . 73.2 110.92 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.65 147.99 43.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 71.44 108.288 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -115.15 -22.56 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.003 -0.999 . . . . 62.31 110.916 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.2 m -67.52 -42.66 82.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.146 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.3 p -111.92 -36.72 5.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 73.24 108.325 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.99 34.69 4.5 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 114.992 -1.004 . . . . 65.33 112.49 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -105.12 115.32 62.47 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.661 0.743 . . . . 75.32 110.9 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 97.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.711 2.274 . . . . 71.41 112.328 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.13 -34.7 0.26 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 74.13 112.516 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -130.81 -173.72 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 72.35 110.894 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 177.77 7.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.881 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -51.29 -43.3 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 73.05 110.885 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.96 -25.54 63.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 74.01 111.061 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -121.15 26.59 8.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 74.34 110.891 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -80.96 124.25 81.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.786 1.279 . . . . 65.34 108.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -12.33 32.61 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.664 2.243 . . . . 53.11 112.29 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 0.51 44.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 74.41 110.895 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -78.6 98.33 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.934 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.04 157.98 8.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 75.13 110.852 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -169.43 -58.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.942 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.79 42.81 7.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 61.11 110.833 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.03 -113.5 0.95 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.739 -0.743 . . . . 71.33 112.533 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -134.23 156.52 48.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.871 0.367 . . . . 73.02 110.876 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.5 m 62.69 69.91 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 70.3 110.87 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.32 174.15 6.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 73.32 110.93 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -106.65 -34.72 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 73.53 110.892 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.1 ttt-85 -98.33 172.77 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.35 110.834 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.7 t -124.61 116.8 23.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 71.25 108.247 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -94.08 30.44 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.003 -0.999 . . . . 72.01 110.917 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.62 -35.35 2.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.906 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.0 p -131.97 15.25 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.384 1.053 . . . . 71.45 108.336 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m120 59.28 20.38 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.994 -1.003 . . . . 71.54 110.912 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.94 156.48 47.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 74.03 112.505 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.6 tpt -123.79 93.38 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 75.3 110.875 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.42 -57.39 0.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.822 -0.704 . . . . 61.22 112.5 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -86.89 -173.37 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 73.41 110.88 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -118.28 151.03 38.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 71.42 110.904 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.22 -44.37 75.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.098 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -58.55 -22.22 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 73.52 110.907 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -116.63 17.38 15.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.02 110.886 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.7 t -84.69 130.74 34.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 73.24 108.25 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 60.03 174.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.975 -1.011 . . . . 74.51 110.915 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.32 -176.52 5.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 75.52 110.848 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -65.29 -32.63 74.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 75.44 110.853 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 71.41 110.856 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 117.056 8.284 . 0.0 '__' . 74.34 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.841 8.046 . 0.879 1a . 73.03 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 C1'-O4'-C4' 116.747 7.941 . 0.734 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 117.24 8.489 . 0.637 1a . 73.5 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.881 8.09 . 0.681 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 93.976 -8.231 . 0.824 1a . 74.15 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 117.283 8.537 . 0.647 1a . 73.35 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.898 8.109 . 0.607 1a . 73.12 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 1 C1'-O4'-C4' 103.881 -6.354 OUTLIER-DELTA 0.0 OUTLIER . 75.42 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.828 8.031 . 0.0 OUTLIER . 75.03 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 93.691 -8.435 . 0.307 3a . 75.51 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 94.229 -8.051 . 0.0 OUTLIER gamma 63.32 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.785 7.983 . 0.041 1a . 72.15 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 O4'-C4'-C3' 92.766 -9.096 . 0.826 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 O4'-C4'-C3' 92.081 -9.585 . 0.834 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 91.257 -10.174 . 0.0 OUTLIER . 71.44 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.082 8.314 . 0.0 OUTLIER . 73.41 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.76 7.956 . 0.548 1a . 74.35 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.944 8.16 . 0.792 1a . 73.43 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.125 8.361 . 0.786 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.78 -8.372 . 0.664 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 C1'-O4'-C4' 117.164 8.405 . 0.046 1L . 71.11 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 1 O4'-C4'-C3' 90.529 -10.693 . 0.0 OUTLIER alpha 74.05 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 116.549 7.721 . 0.0 OUTLIER . 73.32 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 1 O4'-C4'-C3' 91.376 -10.089 . 0.0 OUTLIER . 74.22 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 3 C1'-O4'-C4' 116.726 7.918 . 0.0 OUTLIER . 75.52 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.062 2 C1'-O4'-C4' 116.811 8.013 . 0.0 OUTLIER . 74.34 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 C1'-O4'-C4' 116.805 8.006 . 0.0 OUTLIER gamma 75.13 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.061 2 C1'-O4'-C4' 116.798 7.998 . 0.515 1a . 73.41 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.859 8.065 . 0.217 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.86 2 C1'-O4'-C4' 116.738 7.931 . 0.637 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 117.113 8.348 . 0.624 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 116.824 8.027 . 0.812 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 116.826 8.028 . 0.801 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 117.225 8.472 . 0.628 1a . 75.35 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 O4'-C4'-C3' 92.806 -9.067 . 0.792 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.787 7.986 . 0.05 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 91.97 -9.664 . 0.0 OUTLIER . 73.5 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 91.826 -9.767 . 0.0 OUTLIER . 74.34 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.826 8.029 . 0.0 OUTLIER . 74.02 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 C1'-O4'-C4' 117.223 8.47 . 0.0 OUTLIER . 73.24 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 91.143 -10.255 . 0.0 OUTLIER . 74.15 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 91.859 -9.744 . 0.363 1a . 73.34 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 93.132 -8.834 . 0.377 1a . 75.01 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.876 8.085 . 0.605 1a . 74.55 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.297 8.552 . 0.096 1L . 73.3 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.854 8.06 . 0.0 OUTLIER zeta-1 75.14 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 117.301 8.557 . 0.0 OUTLIER . 75.33 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.842 3 C1'-O4'-C4' 116.845 8.05 . 0.0 OUTLIER . 74.44 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 116.785 7.984 . 0.454 1L . 75.55 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.943 8.159 . 0.454 1a . 75.23 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.051 2 C1'-O4'-C4' 116.767 7.963 . 0.609 1a . 75.21 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.811 8.013 . 0.136 1a . 75.24 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.939 -8.258 . 0.231 1L . 74.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.883 8.092 . 0.0 OUTLIER zeta-1 74.34 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 C1'-O4'-C4' 116.807 8.008 . 0.0 OUTLIER '7D dist 1m' 75.44 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 117.146 8.385 . 0.342 1L . 73.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 94.084 -8.154 . 0.189 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.409 " O2'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 O4'-C4'-C3' 91.64 -9.9 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.44 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.409 ' OP1' " O2'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.362 -7.591 2 C1'-O4'-C4' 118.571 9.968 . 0.0 OUTLIER epsilon-1 75.41 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.043 1 O4'-C4'-C3' 89.8 -11.215 . 0.0 OUTLIER gamma 74.42 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.95 8.167 . 0.0 OUTLIER gamma 73.02 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.902 2 O4'-C4'-C3' 92.079 -9.586 . 0.386 1L . 73.42 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 1 O4'-C4'-C3' 91.38 -10.086 . 0.163 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.918 2 C1'-O4'-C4' 116.591 7.767 . 0.0 OUTLIER '7D dist 5n wannabe' 74.41 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 92.878 -9.015 . 0.127 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 94.32 -7.986 . 0.301 1a . 73.21 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 116.786 7.985 . 0.0 OUTLIER . 74.35 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.218 8.464 . 0.229 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 116.839 8.043 . 0.552 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.113 2 C1'-O4'-C4' 116.773 7.97 . 0.272 1a . 72.51 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.846 2 C1'-O4'-C4' 116.817 8.019 . 0.7 1a . 73.33 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 117.197 8.441 . 0.82 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 117.094 8.326 . 0.845 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.831 8.034 . 0.672 1a . 73.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 112.559 -0.216 . . . . 55.42 112.559 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -68.98 -71.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 72.54 110.855 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.51 15.96 9.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 74.1 111.101 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -56.41 128.4 35.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 71.44 110.864 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.4 -22.98 37.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.672 -0.775 . . . . 74.52 112.506 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.05 117.56 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 119.303 -0.379 . . . . 75.41 110.923 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 t -66.36 150.35 49.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 63.14 108.367 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -115.35 -23.92 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.083 -0.962 . . . . 75.04 110.962 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 m -65.86 -44.03 86.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 73.33 111.086 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 p -111.46 -37.98 5.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 73.4 108.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 34.87 4.02 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 114.976 -1.011 . . . . 73.44 112.504 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.43 118.1 62.81 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.644 0.735 . . . . 75.54 110.889 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 89.61 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.716 2.277 . . . . 73.04 112.302 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.96 -62.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 52.42 112.491 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -98.05 -174.25 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 75.21 110.819 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.37 175.82 8.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 75.03 110.913 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.27 -42.84 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.886 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.93 -24.68 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.055 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -122.01 25.88 8.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 74.42 110.858 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 t -81.23 124.14 81.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 122.798 1.285 . . . . 71.13 108.339 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -11.88 31.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 72.42 112.311 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.2 -0.03 44.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.04 110.872 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 120.0 6.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.26 -0.427 . . . . 75.33 110.876 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -113.24 158.4 20.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.881 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -129.9 165.87 21.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.907 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.91 165.31 7.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 71.23 110.859 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.2 172.75 46.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 62.15 112.455 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -152.69 -51.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.367 . . . . 64.2 110.901 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.7 m -156.24 170.42 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.882 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 71.24 6.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.883 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -148.53 -43.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 62.1 110.862 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -101.34 173.63 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.83 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.6 t -124.76 117.06 23.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 64.13 108.281 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -94.93 28.54 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.982 -1.008 . . . . 61.44 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.5 -36.11 2.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 73.51 110.911 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.0 p -130.05 14.55 5.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 72.41 108.315 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.44 20.76 9.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.941 -1.027 . . . . 75.55 110.845 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.98 157.65 48.55 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 61.23 112.535 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -124.57 97.52 5.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.348 . . . . 72.42 110.872 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.53 -56.8 0.5 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 53.35 112.442 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -87.81 -173.62 4.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 74.35 110.851 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -117.79 151.49 37.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.916 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.72 -36.99 72.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 62.02 111.186 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -21.5 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 72.32 110.901 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.22 15.42 15.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.912 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.2 t -90.2 140.8 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 73.42 108.322 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 60.14 178.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.052 -0.976 . . . . 72.32 110.861 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.13 69.42 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.913 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -137.29 132.8 34.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 73.45 110.868 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 75.52 110.793 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 117.252 8.502 . 0.0 '__' . 74.11 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.954 8.171 . 0.679 1a . 72.52 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 116.839 8.043 . 0.82 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.848 2 C1'-O4'-C4' 117.193 8.437 . 0.579 1a . 75.23 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.902 8.114 . 0.82 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.917 8.13 . 0.404 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.094 8.327 . 0.704 1a . 74.2 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 C1'-O4'-C4' 116.953 8.17 . 0.726 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 O4'-C4'-C3' 90.952 -10.391 . 0.0 OUTLIER . 73.22 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.882 1 O4'-C4'-C3' 90.97 -10.379 . 0.0 OUTLIER . 75.45 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 115.902 7.002 . 0.0 OUTLIER gamma 74.54 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.114 -9.561 . 0.0 OUTLIER gamma 71.14 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.066 2 C1'-O4'-C4' 116.774 7.971 . 0.02 1a . 75.2 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 O4'-C4'-C3' 94.175 -8.089 . 0.708 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 93.896 -8.289 . 0.807 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 116.876 8.084 . 0.0 OUTLIER gamma 74.44 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 3 C1'-O4'-C4' 116.968 8.187 . 0.0 OUTLIER zeta-1 74.31 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.833 8.036 . 0.536 1a . 75.31 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 93.474 -8.59 . 0.743 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.169 8.41 . 0.621 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 93.621 -8.485 . 0.654 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.256 8.507 . 0.032 1L . 74.45 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 1 O4'-C4'-C3' 90.892 -10.434 . 0.0 OUTLIER alpha 74.22 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 92.358 -9.387 . 0.0 OUTLIER gamma 74.23 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.187 8.43 . 0.308 1f . 74.45 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.768 7.964 . 0.0 OUTLIER . 74.11 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 116.885 8.095 . 0.0 OUTLIER . 75.14 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.823 8.026 . 0.064 3g . 74.41 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.803 8.004 . 0.523 1a . 74.35 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 116.959 8.177 . 0.365 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.781 7.979 . 0.76 1a . 75.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 94.203 -8.07 . 0.754 1a . 74.1 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.038 2 C1'-O4'-C4' 116.765 7.962 . 0.5 1a . 75.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 116.865 8.072 . 0.671 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.137 8.375 . 0.319 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 3 O4'-C4'-C3' 91.706 -9.853 . 0.642 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.77 7.966 . 0.299 1a . 73.42 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 91.502 -9.998 . 0.0 OUTLIER . 73.25 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 3 O4'-C4'-C3' 91.301 -10.142 . 0.0 OUTLIER gamma 74.21 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.859 8.065 . 0.0 OUTLIER . 74.35 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 117.211 8.456 . 0.0 OUTLIER . 74.35 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.07 2 O4'-C4'-C3' 90.867 -10.452 . 0.0 OUTLIER . 75.22 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 O4'-C4'-C3' 91.716 -9.846 . 0.367 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 92.491 -9.292 . 0.428 1a . 74.11 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.991 8.213 . 0.423 1a . 75.24 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 117.186 8.429 . 0.219 1L . 74.12 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 3 C1'-O4'-C4' 116.829 8.032 . 0.0 OUTLIER zeta-1 74.12 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.06 2 C1'-O4'-C4' 117.245 8.494 . 0.0 OUTLIER '7D dist &a' 75.04 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 3 C1'-O4'-C4' 117.146 8.385 . 0.0 OUTLIER . 72.34 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.735 7.928 . 0.45 1L . 73.33 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 117.095 8.327 . 0.494 1a . 74.55 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.814 8.016 . 0.585 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 C1'-O4'-C4' 116.741 7.935 . 0.17 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 94.131 -8.121 . 0.192 1L . 71.31 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.924 8.137 . 0.0 OUTLIER zeta-1 75.44 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.807 8.008 . 0.0 OUTLIER . 74.33 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 117.065 8.294 . 0.269 1L . 75.21 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.857 8.063 . 0.63 1a . 74.15 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.417 " H4'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 91.467 -10.024 OUTLIER-EPSILON 0.0 OUTLIER gamma 75.22 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.417 ' OP1' " H4'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.36 -7.723 2 C1'-O4'-C4' 118.488 9.875 . 0.0 OUTLIER epsilon-1 73.31 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 1 O4'-C4'-C3' 89.841 -11.185 . 0.0 OUTLIER gamma 74.43 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.245 8.495 . 0.0 OUTLIER gamma 73.33 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 2 O4'-C4'-C3' 92.704 -9.14 . 0.0 OUTLIER '7D dist 1a' 72.44 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 1 O4'-C4'-C3' 91.531 -9.978 . 0.172 1a . 74.04 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 2 C1'-O4'-C4' 116.629 7.81 . 0.01 5n . 75.12 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.028 2 C1'-O4'-C4' 116.913 8.126 . 0.078 1a . 75.1 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 3 C1'-O4'-C4' 116.824 8.027 . 0.142 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.877 8.086 . 0.0 OUTLIER . 74.24 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.032 2 C1'-O4'-C4' 117.251 8.501 . 0.537 1a . 74.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 C1'-O4'-C4' 116.772 7.969 . 0.06 1a . 75.23 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 116.886 8.096 . 0.748 1a . 73.25 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.818 8.02 . 0.182 1a . 74.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.055 8.283 . 0.602 1a . 75.23 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 117.077 8.308 . 0.791 1a . 74.35 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.872 8.08 . 0.723 1a . 75.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 N-CA-C 112.586 -0.206 . . . . 74.23 112.586 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -55.56 -66.43 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 74.32 110.822 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.13 13.95 8.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.41 111.133 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.54 88.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.891 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.72 -8.68 1.8 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.664 -0.779 . . . . 64.32 112.42 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.13 119.9 36.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 119.299 -0.381 . . . . 74.2 110.978 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.4 t -61.89 141.71 57.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 65.31 108.29 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -109.49 39.31 2.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.042 -0.981 . . . . 75.3 110.914 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 m -140.27 -48.11 0.44 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 64.1 111.118 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -110.38 -37.52 5.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 73.15 108.231 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 30.16 4.27 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.003 -0.999 . . . . 70.03 112.491 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -100.23 118.53 61.16 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.639 0.733 . . . . 73.34 110.887 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 98.41 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.711 2.274 . . . . 73.01 112.335 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.88 -67.61 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 72.51 112.47 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -92.15 171.45 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 71.14 110.874 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -114.01 174.01 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 71.54 110.907 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -51.93 -40.98 61.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 74.3 110.903 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.92 -23.41 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 51.43 111.094 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.97 18.48 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 74.51 110.921 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.35 124.13 90.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.808 1.29 . . . . 75.3 108.263 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -13.32 34.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.637 2.224 . . . . 73.33 112.336 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.47 0.14 47.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 64.32 110.894 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -87.25 98.77 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 75.15 110.907 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.52 151.05 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 73.42 110.856 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -155.1 84.52 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.979 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.0 t -166.44 126.77 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.42 110.883 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -143.97 50.02 0.68 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.66 -0.781 . . . . 73.05 112.476 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -163.67 124.7 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.345 . . . . 74.31 110.894 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 m -145.89 134.53 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.9 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.13 -54.75 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.818 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -129.8 27.87 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.879 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.94 173.49 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 70.13 110.87 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.9 t -124.66 117.14 23.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 74.51 108.343 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.79 28.61 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.039 -0.982 . . . . 71.1 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.78 -35.99 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.936 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.1 p -130.1 14.42 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 72.43 108.286 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.35 20.82 9.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.01 -0.996 . . . . 73.34 110.9 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.03 156.97 49.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 71.23 112.498 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.64 97.38 5.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 73.23 110.818 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.64 -57.92 0.48 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 75.43 112.511 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -86.6 -173.53 4.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.766 0.317 . . . . 75.41 110.834 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -118.29 151.46 37.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.894 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.9 -36.01 71.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 75.3 111.056 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -62.37 -22.17 65.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.89 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -115.86 15.37 16.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 71.41 110.863 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t -91.12 136.41 33.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 72.31 108.315 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 53.67 28.73 8.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.978 -1.01 . . . . 75.51 110.849 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -126.29 90.3 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 75.53 110.893 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -144.06 159.11 43.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 73.25 110.819 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 72.53 110.874 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 O4'-C4'-C3' 93.076 -8.875 . 0.0 '__' . 74.51 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.922 8.136 . 0.599 1a . 73.22 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 C1'-O4'-C4' 116.81 8.011 . 0.784 1a . 75.51 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.013 8.237 . 0.858 1a . 75.03 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 116.89 8.1 . 0.876 1a . 73.44 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.887 8.097 . 0.823 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 93.425 -8.625 . 0.899 1a . 73.3 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 92.692 -9.149 . 0.785 1a . 72.51 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 O4'-C4'-C3' 91.571 -9.949 . 0.0 OUTLIER . 74.01 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 1 O4'-C4'-C3' 90.435 -10.761 . 0.0 OUTLIER . 74.11 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.526 7.695 . 0.0 OUTLIER gamma 75.42 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.009 8.232 . 0.293 1L . 74.34 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.847 8.052 . 0.696 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 93.231 -8.763 . 0.846 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 92.968 -8.951 . 0.695 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.779 1 O4'-C4'-C3' 90.68 -10.586 . 0.0 OUTLIER . 75.44 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.062 2 C1'-O4'-C4' 117.005 8.228 . 0.0 OUTLIER zeta-1 74.1 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.826 8.028 . 0.636 1a . 72.2 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.875 2 C1'-O4'-C4' 116.972 8.191 . 0.773 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.054 2 O4'-C4'-C3' 93.44 -8.615 . 0.828 1a . 71.2 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 O4'-C4'-C3' 93.363 -8.669 . 0.62 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 117.194 8.438 . 0.019 1L . 73.21 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 O4'-C4'-C3' 91.07 -10.307 . 0.0 OUTLIER . 74.12 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 1 O4'-C4'-C3' 90.554 -10.676 . 0.0 OUTLIER gamma 73.33 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 1 O4'-C4'-C3' 91.024 -10.34 . 0.0 OUTLIER . 75.25 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.839 8.043 . 0.0 OUTLIER gamma 74.23 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 C1'-O4'-C4' 116.772 7.969 . 0.0 OUTLIER . 73.52 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.799 7.999 . 0.401 5n . 74.3 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.752 7.947 . 0.466 1a . 75.24 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 117.163 8.403 . 0.152 1a . 73.53 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.862 8.069 . 0.697 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 116.956 8.174 . 0.746 1a . 73.42 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.806 8.006 . 0.743 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 116.785 7.983 . 0.778 1a . 72.42 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.884 8.093 . 0.744 1a . 74.33 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 O4'-C4'-C3' 93.377 -8.659 . 0.694 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.844 8.049 . 0.246 1a . 73.43 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 O4'-C4'-C3' 91.746 -9.824 . 0.101 1f . 74.14 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 90.89 -10.436 . 0.0 OUTLIER gamma 73.21 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.768 7.965 . 0.0 OUTLIER gamma 73.32 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 117.224 8.471 . 0.0 OUTLIER . 73.42 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 1 O4'-C4'-C3' 90.283 -10.869 . 0.0 OUTLIER . 74.12 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 O4'-C4'-C3' 91.03 -10.336 . 0.519 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 O4'-C4'-C3' 92.934 -8.976 . 0.35 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 116.877 8.086 . 0.413 1a . 72.53 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 117.181 8.423 . 0.217 1L . 75.35 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 3 C1'-O4'-C4' 116.835 8.038 . 0.0 OUTLIER zeta-1 74.35 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 117.285 8.539 . 0.0 OUTLIER . 75.52 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 3 C1'-O4'-C4' 117.063 8.292 . 0.0 OUTLIER . 74.31 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 116.768 7.965 . 0.452 1L . 74.53 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 117.128 8.365 . 0.482 1a . 74.1 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 116.825 8.027 . 0.566 1a . 73.34 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.801 8.001 . 0.356 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.763 7.959 . 0.168 1a . 75.12 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.818 2 C1'-O4'-C4' 116.908 8.119 . 0.0 OUTLIER zeta-1 74.31 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.833 8.037 . 0.0 OUTLIER . 74.42 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 117.049 8.277 . 0.187 1L . 74.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 94.343 -7.97 . 0.618 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.43 " H4'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 92.245 -9.468 OUTLIER-EPSILON 0.0 OUTLIER gamma 75.14 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.43 ' OP1' " H4'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.367 -7.151 2 C1'-O4'-C4' 118.461 9.845 . 0.0 OUTLIER epsilon-1 75.13 . . . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 1 O4'-C4'-C3' 89.82 -11.2 . 0.0 OUTLIER gamma 75.44 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 117.272 8.524 . 0.0 OUTLIER gamma 74.03 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.324 2 O4'-C4'-C3' 92.665 -9.168 . 0.0 OUTLIER '7D dist 1a' 74.4 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 1 O4'-C4'-C3' 91.433 -10.048 . 0.169 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 2 C1'-O4'-C4' 116.567 7.741 . 0.0 OUTLIER '7D dist 5n wannabe' 74.04 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 O4'-C4'-C3' 93.513 -8.562 . 0.082 1a . 73.55 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 116.773 7.97 . 0.329 1a . 74.13 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.832 8.035 . 0.0 OUTLIER . 75.05 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.099 8.332 . 0.687 1a . 72.44 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.788 7.987 . 0.733 1a . 72.03 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 116.723 7.914 . 0.75 1a . 71.01 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.813 8.015 . 0.598 1a . 72.3 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.867 2 O4'-C4'-C3' 93.778 -8.373 . 0.857 1a . 72.3 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 117.005 8.228 . 0.698 1a . 73.51 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.819 8.021 . 0.786 1a . 72.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 N-CA-C 112.544 -0.222 . . . . 52.4 112.544 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.9 mtt85 -136.53 -62.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 73.42 110.88 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.73 14.45 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 73.43 111.102 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.54 134.39 50.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.946 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.42 -22.33 40.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 71.52 112.501 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.89 144.76 25.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 119.299 -0.381 . . . . 73.32 110.948 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.3 t -99.47 152.35 20.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 74.04 108.297 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' HB2' ' C6 ' ' B' ' 218' ' ' ' G' . 4.8 m-30 -110.84 -30.1 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.984 -1.007 . . . . 75.4 110.88 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.5 m -62.32 -47.4 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 73.1 111.087 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.1 p -106.7 -40.23 5.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 72.52 108.302 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.34 37.53 4.02 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.028 -0.987 . . . . 64.1 112.516 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.26 120.91 46.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 74.53 110.874 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 83.99 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.684 2.256 . . . . 74.4 112.38 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.37 -33.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 75.32 112.467 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -136.78 -178.38 5.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 74.22 110.914 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.46 165.07 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.865 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -51.51 -38.52 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 74.1 110.925 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.49 50.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 61.4 111.105 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -127.43 31.49 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.919 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.7 t -73.6 126.23 89.94 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 122.851 1.31 . . . . 73.2 108.304 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -11.94 31.93 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 73.32 112.36 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.62 -0.57 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.886 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -25.72 60.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.882 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.12 -170.07 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.861 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.4 175.42 8.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.97 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.35 -170.22 3.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 64.5 110.889 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -172.31 -147.65 5.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 64.13 112.469 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -152.67 174.29 14.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 71.44 110.856 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.06 -176.49 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.871 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -170.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 75.1 110.895 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -117.65 26.02 10.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.891 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -107.61 173.23 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.821 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t -123.68 117.38 24.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 70.34 108.364 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.07 29.17 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.012 -0.995 . . . . 73.33 110.939 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.59 -35.93 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.861 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.8 p -130.35 14.35 5.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.62 1.2 . . . . 62.41 108.345 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 59.34 20.92 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.997 -1.001 . . . . 73.43 110.848 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.32 158.08 48.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 44.2 112.49 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -124.57 98.72 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 74.21 110.84 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.25 -57.82 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 74.13 112.453 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -86.42 -173.52 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 73.04 110.862 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -118.53 150.73 39.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 75.33 110.873 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.98 -39.94 72.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 70.33 111.149 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -61.7 -23.24 65.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.875 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.66 17.08 15.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.852 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.7 t -83.3 133.31 34.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 74.34 108.284 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.57 53.73 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.972 -1.013 . . . . 74.42 110.899 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 148.24 6.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.894 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.07 50.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 74.12 110.862 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 70.43 110.856 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 93.52 -8.557 . 0.0 '__' . 75.22 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 116.992 8.214 . 0.673 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.848 8.053 . 0.719 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.028 2 C1'-O4'-C4' 116.92 8.133 . 0.751 1a . 74.1 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 117.01 8.233 . 0.777 1a . 73.54 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 C1'-O4'-C4' 117.109 8.344 . 0.618 1a . 75.3 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 117.179 8.421 . 0.563 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 116.942 8.158 . 0.347 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.184 8.426 . 0.0 OUTLIER gamma 74.32 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.979 3 C1'-O4'-C4' 116.882 8.092 . 0.499 7d . 75.21 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 116.208 7.342 . 0.0 OUTLIER gamma 72.13 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 91.781 -9.799 . 0.479 1a . 74.05 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.828 8.031 . 0.642 1a . 74.35 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.846 2 C1'-O4'-C4' 117.221 8.468 . 0.603 1a . 63.55 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 3 O4'-C4'-C3' 91.507 -9.995 . 0.708 1a . 71.42 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 91.697 -9.859 . 0.0 OUTLIER . 74.22 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 117.131 8.367 . 0.0 OUTLIER . 75.21 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.724 7.916 . 0.697 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 O4'-C4'-C3' 93.332 -8.692 . 0.724 1a . 74.04 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 117.098 8.331 . 0.536 1a . 75.01 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 93.432 -8.62 . 0.661 1a . 75.03 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.172 8.413 . 0.057 1L . 75.43 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 O4'-C4'-C3' 94.049 -8.18 . 0.0 OUTLIER . 73.45 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 94.075 -8.161 . 0.0 OUTLIER . 74.55 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 1 O4'-C4'-C3' 90.545 -10.682 . 0.0 OUTLIER gamma 73.21 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.839 8.043 . 0.01 1c . 73.53 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 116.855 8.061 . 0.0 OUTLIER . 65.53 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 C1'-O4'-C4' 116.834 8.038 . 0.0 OUTLIER . 75.53 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.796 7.995 . 0.531 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 117.101 8.334 . 0.082 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.821 8.023 . 0.459 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 94.177 -8.088 . 0.669 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.867 8.075 . 0.686 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.757 7.952 . 0.684 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 O4'-C4'-C3' 93.658 -8.459 . 0.73 1a . 73.51 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.655 -9.175 . 0.359 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.852 8.057 . 0.181 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.366 7.518 . 0.081 &a . 73.44 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 1 O4'-C4'-C3' 90.671 -10.592 . 0.0 OUTLIER . 74.11 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 116.94 8.156 . 0.0 OUTLIER gamma 74.52 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 1 C1'-O4'-C4' 114.801 5.778 . 0.0 OUTLIER gamma 74.22 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 92.486 -9.295 . 0.0 OUTLIER gamma 75.52 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.974 8.193 . 0.425 1a . 73.31 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.839 8.043 . 0.625 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.907 8.118 . 0.507 1a . 73.13 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 117.258 8.509 . 0.161 1L . 71.33 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.75 7.945 . 0.0 OUTLIER gamma 73.55 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 117.307 8.563 . 0.0 OUTLIER . 73.44 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 3 C1'-O4'-C4' 116.867 8.075 . 0.0 OUTLIER . 74.2 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 116.833 8.036 . 0.424 1L . 74.21 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 117.105 8.339 . 0.411 1a . 75.24 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.836 8.04 . 0.783 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 116.781 7.979 . 0.86 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 116.766 7.962 . 0.553 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.818 8.02 . 0.0 OUTLIER '7D dist 1a' 73.31 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 116.772 7.969 . 0.331 1m . 75.4 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 117.127 8.363 . 0.355 1L . 75.22 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 117.298 8.553 . 0.0 OUTLIER gamma 74.04 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.417 " C5'" ' OP2' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.403 -4.14 2 O4'-C4'-C3' 92.735 -9.118 OUTLIER-EPSILON 0.0 OUTLIER gamma 75.42 . . . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.417 ' OP2' " C5'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.388 -5.445 2 C1'-O4'-C4' 118.062 9.403 . 0.0 OUTLIER epsilon-1 75.24 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 1 O4'-C4'-C3' 91.036 -10.331 . 0.0 OUTLIER gamma 75.03 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.319 8.577 . 0.0 OUTLIER gamma 75.1 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 2 O4'-C4'-C3' 93.976 -8.232 . 0.18 1L . 74.52 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 1 O4'-C4'-C3' 91.74 -9.828 . 0.234 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.995 3 O4'-C4'-C3' 93.084 -8.868 . 0.015 5n . 74.21 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 117.392 8.657 . 0.0 OUTLIER gamma 75.41 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.868 2 C1'-O4'-C4' 116.8 8.0 . 0.383 1a . 75.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 116.73 7.922 . 0.0 OUTLIER . 75.43 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 93.624 -8.483 . 0.321 1a . 75.1 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 116.817 8.019 . 0.515 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 116.718 7.908 . 0.734 1a . 75.2 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.753 7.948 . 0.766 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 O4'-C4'-C3' 93.717 -8.416 . 0.821 1a . 73.33 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 117.153 8.392 . 0.042 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.811 8.012 . 0.47 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.478 -0.249 . . . . 53.42 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -67.32 -64.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 70.33 110.873 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 69.36 7.29 6.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 74.12 111.125 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -64.56 87.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.878 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.92 -18.28 0.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 74.22 112.432 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.85 112.56 24.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 119.348 -0.358 . . . . 64.33 110.826 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -55.26 138.76 44.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 73.3 108.341 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -106.26 39.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.029 -0.987 . . . . 74.13 110.88 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.0 m -139.87 -48.64 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.32 111.147 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -110.47 -37.36 5.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 53.52 108.319 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.72 31.04 4.07 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.021 -0.99 . . . . 52.44 112.43 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -98.85 118.49 62.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.687 0.756 . . . . 71.33 110.814 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 91.92 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.624 2.216 . . . . 72.11 112.384 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 167.88 -70.04 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 64.14 112.499 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -88.78 172.16 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.309 . . . . 71.45 110.958 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.13 173.2 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 73.44 110.881 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -50.41 -41.91 52.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 74.32 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.84 -29.48 69.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.105 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -109.92 18.05 20.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 62.11 110.908 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.1 t -74.62 124.01 89.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.736 1.255 . . . . 73.23 108.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -12.73 33.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.71 2.273 . . . . 74.23 112.316 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -98.54 0.27 44.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 72.03 110.895 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -87.97 112.85 23.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.925 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -159.91 39.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.819 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.19 -170.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 74.41 110.898 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 99.5 p -98.7 -38.37 9.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 61.01 110.945 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.63 154.88 4.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.808 -0.71 . . . . 61.34 112.5 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -146.41 55.51 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 71.43 110.903 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 m 61.56 62.49 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.35 110.891 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -118.78 -173.4 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 73.32 110.89 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -112.19 112.98 24.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.24 110.936 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -101.85 172.72 6.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 73.24 110.916 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -123.6 117.13 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.54 108.292 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.01 29.09 2.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.985 -1.007 . . . . 70.11 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.19 -35.79 2.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.901 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.6 p -130.29 14.24 5.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 72.21 108.344 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.91 20.38 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.99 -1.004 . . . . 63.55 110.883 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.53 159.29 45.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 75.42 112.442 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.9 mtp -126.49 96.82 4.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 74.24 110.845 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.29 -56.63 0.49 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 75.21 112.436 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -87.34 -174.16 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 72.14 110.873 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -117.71 148.14 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 65.31 110.904 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.22 -46.33 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 74.44 111.089 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -27.31 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 73.31 110.862 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -98.59 -17.63 18.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.55 110.852 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.7 t -66.55 107.62 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 74.32 108.33 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ptt85 -91.41 -171.55 2.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.004 -0.998 . . . . 75.51 110.865 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.98 152.54 3.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.851 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.99 -40.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.902 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 75.43 110.897 179.933 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 116.917 8.129 . 0.0 '__' . 75.11 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.954 8.171 . 0.81 1a . 75.23 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.86 8.066 . 0.703 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.161 8.402 . 0.732 1a . 71.42 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 94.041 -8.185 . 0.805 1a . 75.01 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 117.106 8.34 . 0.691 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 C1'-O4'-C4' 117.186 8.429 . 0.665 1a . 75.4 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 94.181 -8.085 . 0.426 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.827 2 C1'-O4'-C4' 116.859 8.065 . 0.0 OUTLIER '7D dist 5j' 72.32 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 C1'-O4'-C4' 115.92 7.022 . 0.0 OUTLIER gamma 75.44 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 O4'-C4'-C3' 93.708 -8.423 . 0.143 9a . 75.23 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 93.986 -8.224 . 0.0 OUTLIER gamma 75.21 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 116.822 8.025 . 0.04 1a . 73.43 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 93.77 -8.379 . 0.597 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 O4'-C4'-C3' 93.057 -8.888 . 0.771 1a . 75.35 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 3 C1'-O4'-C4' 116.419 7.577 . 0.0 OUTLIER . 75.34 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.039 8.265 . 0.0 OUTLIER . 75.12 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.78 7.978 . 0.585 1a . 75.54 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 93.82 -8.343 . 0.564 1a . 73.54 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 C1'-O4'-C4' 117.148 8.387 . 0.448 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 O4'-C4'-C3' 93.602 -8.499 . 0.654 1a . 73.33 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.225 8.472 . 0.025 1L . 74.13 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 1 C1'-O4'-C4' 104.354 -5.829 OUTLIER-DELTA 0.0 OUTLIER gamma 75.22 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 1 O4'-C4'-C3' 90.562 -10.67 . 0.0 OUTLIER gamma 75.53 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 116.796 7.996 . 0.0 OUTLIER . 75.11 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 3 C1'-O4'-C4' 116.784 7.983 . 0.158 1f . 74.53 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.805 8.006 . 0.084 1c . 75.32 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.736 7.929 . 0.074 5n . 74.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 C1'-O4'-C4' 116.796 7.996 . 0.514 1a . 74.35 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 O4'-C4'-C3' 94.06 -8.172 . 0.333 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 C1'-O4'-C4' 116.854 8.059 . 0.829 1a . 75.52 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.092 8.325 . 0.6 1a . 73.44 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.071 2 C1'-O4'-C4' 116.811 8.012 . 0.776 1a . 73.43 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 116.812 8.013 . 0.851 1a . 75.54 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.994 8.215 . 0.592 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 94.144 -8.112 . 0.736 1a . 72.01 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.803 8.004 . 0.624 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 1 C1'-O4'-C4' 113.712 4.569 . 0.0 OUTLIER . 74.2 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 1 O4'-C4'-C3' 90.699 -10.572 . 0.0 OUTLIER gamma 74.03 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.82 8.022 . 0.0 OUTLIER . 72.24 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 117.302 8.558 . 0.0 OUTLIER . 73.24 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 90.175 -10.946 . 0.565 1e . 72.24 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 91.575 -9.947 . 0.413 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 92.396 -9.36 . 0.387 1a . 71.21 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.896 8.106 . 0.549 1a . 72.3 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 117.308 8.565 . 0.165 1L . 74.41 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 3 C1'-O4'-C4' 116.754 7.949 . 0.0 OUTLIER zeta-1 75.41 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 117.237 8.485 . 0.0 OUTLIER '7D dist &a' 75.32 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 3 C1'-O4'-C4' 116.999 8.221 . 0.0 OUTLIER . 74.45 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.769 7.966 . 0.456 1L . 75.23 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 C1'-O4'-C4' 117.092 8.324 . 0.46 1a . 75.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.828 8.031 . 0.384 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.793 7.992 . 0.242 1a . 75.21 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.778 7.976 . 0.01 1a . 73.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.841 8.045 . 0.0 OUTLIER zeta-1 75.31 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 C1'-O4'-C4' 116.786 7.985 . 0.35 1m . 75.35 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.069 8.299 . 0.354 1L . 75.31 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.753 7.947 . 0.12 1a . 74.54 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.507 " H4'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.401 3 O4'-C4'-C3' 92.401 -9.356 OUTLIER-EPSILON 0.0 OUTLIER . 74.03 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.507 ' OP1' " H4'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.309 -11.997 2 C5'-C4'-O4' 122.273 9.338 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 75.25 . . . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 1 O4'-C4'-C3' 89.966 -11.096 . 0.0 OUTLIER delta-1 75.3 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 117.043 8.27 . 0.0 OUTLIER gamma 74.41 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 2 O4'-C4'-C3' 92.685 -9.154 . 0.28 1L . 74.23 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 2 O4'-C4'-C3' 91.803 -9.784 . 0.165 1a . 73.52 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.979 -8.944 . 0.0 OUTLIER . 74.12 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.897 2 O4'-C4'-C3' 93.894 -8.29 . 0.01 1L . 75.12 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.797 7.997 . 0.741 1a . 73.21 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.746 7.94 . 0.0 OUTLIER '7D dist 3a' 75.12 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 93.986 -8.224 . 0.445 1a . 73.21 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.775 7.972 . 0.605 1a . 72.11 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.82 8.022 . 0.638 1a . 72.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 116.852 8.057 . 0.348 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 94.095 -8.146 . 0.748 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 117.136 8.374 . 0.638 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.765 7.961 . 0.655 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.546 -0.222 . . . . 53.12 112.546 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.1 95.21 5.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 75.01 110.876 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.06 20.89 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 75.33 111.131 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.73 131.28 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.14 110.833 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.36 -28.9 10.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 62.05 112.494 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.1 120.12 41.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 119.308 -0.377 . . . . 73.23 110.96 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.8 t -68.18 150.22 48.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 73.01 108.266 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.409 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 3.4 t80 -114.7 -24.83 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.001 -0.999 . . . . 74.25 110.887 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.0 m -64.54 -44.22 91.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 74.3 111.115 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.7 p -112.74 -38.16 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 63.44 108.259 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.29 34.73 4.11 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.024 -0.989 . . . . 63.45 112.488 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 t -98.7 120.47 58.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.676 0.751 . . . . 73.45 110.905 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 92.03 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.669 2.246 . . . . 74.43 112.373 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.23 -68.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 71.11 112.474 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -91.47 -172.15 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.744 0.306 . . . . 73.34 110.861 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.99 177.09 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 65.2 110.856 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -50.5 -44.58 56.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 72.15 110.924 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.27 52.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 62.21 111.108 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -124.9 31.52 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.909 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.3 t -83.22 120.78 76.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.773 1.273 . . . . 74.31 108.351 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -14.28 35.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 72.41 112.373 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -96.3 0.32 50.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 73.11 110.925 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.86 154.7 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 74.31 110.916 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.27 111.94 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 75.22 110.828 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -154.36 154.13 32.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.914 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -179.3 129.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 75.12 110.883 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 172.27 -176.08 45.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 75.15 112.423 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.05 157.57 46.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.33 . . . . 73.44 110.897 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.24 159.74 41.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 64.2 110.859 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -149.06 120.71 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 74.41 110.896 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 55.7 90.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.878 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.64 174.23 5.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 73.51 110.873 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.9 t -125.05 116.83 22.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 75.22 108.24 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.88 28.77 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.997 -1.001 . . . . 75.01 110.904 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.64 -35.93 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.88 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.8 p -130.29 14.37 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 74.41 108.294 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 59.72 20.45 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.979 -1.009 . . . . 75.2 110.85 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.24 157.5 49.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 64.31 112.502 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.36 97.94 5.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 74.01 110.812 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.21 -57.9 0.49 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.778 -0.725 . . . . 43.42 112.564 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -86.12 -173.69 4.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.786 0.327 . . . . 71.05 110.855 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -117.42 150.39 38.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.54 -37.65 73.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 73.52 111.085 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -21.9 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.871 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -114.81 13.76 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 71.32 110.96 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.0 t -91.41 138.63 31.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 73.53 108.325 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 62.48 163.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.993 -1.003 . . . . 73.2 110.875 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.38 173.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 75.22 110.955 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.1 101.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 73.03 110.888 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.832 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 93.864 -8.312 . 0.0 '__' . 74.23 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.995 8.216 . 0.51 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 116.779 7.976 . 0.796 1a . 75.35 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 93.399 -8.644 . 0.791 1a . 73.31 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 93.381 -8.656 . 0.8 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 94.021 -8.199 . 0.693 1a . 72.55 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.845 2 C1'-O4'-C4' 117.162 8.402 . 0.868 1a . 73.44 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.06 8.289 . 0.642 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 91.604 -9.926 . 0.0 OUTLIER gamma 73.41 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.101 8.335 . 0.0 OUTLIER . 74.24 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 O4'-C4'-C3' 93.092 -8.863 . 0.08 9a . 73.34 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.926 8.14 . 0.0 OUTLIER . 74.32 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.814 8.015 . 0.31 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 117.001 8.224 . 0.823 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 3 O4'-C4'-C3' 91.721 -9.842 . 0.785 1a . 73.32 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 1 O4'-C4'-C3' 90.331 -10.835 . 0.0 OUTLIER gamma 75.35 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.078 8.309 . 0.0 OUTLIER . 75.41 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.852 8.057 . 0.745 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 92.203 -9.498 . 0.778 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 92.168 -9.523 . 0.789 1a . 73.31 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 O4'-C4'-C3' 92.872 -9.02 . 0.645 1a . 74.5 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 117.134 8.371 . 0.04 1L . 74.44 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 1 C1'-O4'-C4' 104.144 -6.062 OUTLIER-DELTA 0.01 1g . 74.43 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.983 8.203 . 0.0 OUTLIER . 74.41 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 93.808 -8.352 . 0.0 OUTLIER gamma 73.45 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 116.797 7.997 . 0.0 OUTLIER '7D dist 1c' 74.22 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 3 C1'-O4'-C4' 116.719 7.91 . 0.0 OUTLIER . 74.44 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 3 C1'-O4'-C4' 116.785 7.983 . 0.0 OUTLIER . 75.53 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.766 7.962 . 0.399 1a . 75.45 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.137 8.374 . 0.062 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 C1'-O4'-C4' 116.858 8.065 . 0.377 1a . 73.41 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 C1'-O4'-C4' 116.97 8.189 . 0.488 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.859 2 C1'-O4'-C4' 116.811 8.012 . 0.551 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.855 8.061 . 0.837 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 O4'-C4'-C3' 93.909 -8.28 . 0.638 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 117.053 8.281 . 0.486 1a . 75.35 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 C1'-O4'-C4' 116.778 7.976 . 0.261 1m . 75.11 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 92.104 -9.569 . 0.0 OUTLIER . 72.22 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 3 O4'-C4'-C3' 91.125 -10.268 . 0.0 OUTLIER . 73.42 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 116.926 8.14 . 0.0 OUTLIER . 73.32 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 117.214 8.46 . 0.0 OUTLIER '7D dist 5d' 75.23 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 90.174 -10.947 . 0.452 1e . 74.54 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 O4'-C4'-C3' 91.113 -10.276 . 0.54 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 O4'-C4'-C3' 92.763 -9.098 . 0.449 1a . 75.3 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.929 8.143 . 0.244 1a . 75.31 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 117.333 8.592 . 0.122 1L . 75.15 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.835 8.038 . 0.0 OUTLIER zeta-1 75.33 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 117.223 8.47 . 0.0 OUTLIER . 73.15 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 3 C1'-O4'-C4' 116.904 8.116 . 0.0 OUTLIER . 72.42 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.808 8.009 . 0.455 1L . 75.41 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.897 8.108 . 0.477 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 116.826 8.028 . 0.608 1a . 73.44 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.782 7.98 . 0.466 1a . 74.2 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.867 8.074 . 0.396 1a . 74.03 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 116.762 7.958 . 0.0 OUTLIER zeta-1 74.52 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.737 7.93 . 0.656 1a . 74.55 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 C1'-O4'-C4' 117.302 8.558 . 0.096 1L . 74.4 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.986 2 O4'-C4'-C3' 92.699 -9.143 . 0.265 1L . 74.33 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.409 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 90.975 -10.375 . 0.0 OUTLIER . 74.12 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.414 ' C5 ' ' OP2' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.378 -6.255 1 C1'-O4'-C4' 116.062 7.18 . 0.0 OUTLIER gamma 75.43 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 1 O4'-C4'-C3' 91.196 -10.217 . 0.0 OUTLIER gamma 73.54 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.814 8.016 . 0.01 1a . 74.11 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 O4'-C4'-C3' 92.326 -9.41 . 0.288 1a . 72.21 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . 0.636 " H4'" " O5'" ' B' ' 224' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.318 2 C1'-O4'-C4' 117.785 9.094 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 75.1 . . . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . 0.636 " O5'" " H4'" ' B' ' 223' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.008 2 O4'-C4'-C3' 93.34 -8.686 . 0.0 OUTLIER epsilon-1 72.51 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 117.268 8.52 . 0.119 1L . 71.51 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 116.79 7.989 . 0.502 1a . 71.4 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 116.847 8.052 . 0.166 1m . 73.4 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 117.125 8.361 . 0.657 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.822 8.024 . 0.649 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.798 7.997 . 0.707 1a . 73.45 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.76 7.955 . 0.826 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 94.008 -8.208 . 0.893 1a . 74.11 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.074 8.304 . 0.681 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.794 7.993 . 0.487 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.438 -0.265 . . . . 52.4 112.438 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -92.41 -54.72 3.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 75.4 110.876 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.6 16.04 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.13 111.111 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 130.28 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.923 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.74 -28.71 13.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 60.55 112.541 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -92.6 112.84 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 119.285 -0.388 . . . . 73.14 110.912 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 t -71.58 146.84 48.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 71.24 108.285 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.454 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 3.9 t80 -111.93 -24.7 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.038 -0.983 . . . . 74.13 110.901 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -65.59 -40.8 93.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 73.12 111.1 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.0 p -112.62 -39.0 4.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 71.41 108.279 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.42 38.34 3.29 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.035 -0.984 . . . . 63.25 112.507 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.83 129.56 23.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.733 0.778 . . . . 52.24 110.844 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 53.9 Cg_endo -69.81 170.53 16.43 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.584 2.19 . . . . 75.21 112.34 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.37 -18.36 57.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 71.22 112.551 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -154.46 171.52 19.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 64.22 110.88 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.99 179.3 5.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.226 -0.443 . . . . 72.34 110.869 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.98 -43.52 40.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 75.21 110.87 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.19 -31.4 65.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 74.05 111.085 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -117.52 29.65 7.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 74.1 110.836 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 t -77.89 124.73 86.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.774 1.273 . . . . 70.21 108.344 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.79 -10.57 28.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 74.12 112.28 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -100.79 0.39 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 74.43 110.853 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.38 101.36 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 75.23 110.912 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -58.19 152.95 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 73.51 110.846 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -171.37 -50.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 71.31 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.67 164.08 6.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 54.05 110.861 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -109.34 -61.24 0.52 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 64.42 112.438 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.39 -179.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 74.12 110.832 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -162.51 71.5 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 72.51 110.859 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -151.66 145.54 25.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.872 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.43 111.14 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.92 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -101.66 173.54 6.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 71.31 110.825 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -124.48 117.17 23.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 70.43 108.309 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -94.99 28.55 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.956 -1.02 . . . . 75.41 110.94 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.53 -36.19 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 70.21 110.955 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.0 p -129.93 14.53 5.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 70.14 108.269 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 59.41 20.67 9.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.003 -0.999 . . . . 75.43 110.886 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.04 157.49 48.85 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 62.44 112.47 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -124.07 97.87 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 64.44 110.891 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.0 -57.31 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 40.24 112.466 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -87.18 -173.57 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 72.24 110.888 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -118.31 151.22 38.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.937 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.09 -35.23 71.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 65.24 111.081 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -22.28 66.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.891 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -115.61 14.9 16.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 73.24 110.901 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.3 t -92.35 136.26 33.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 61.11 108.37 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 52.11 61.28 3.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.049 -0.978 . . . . 75.13 110.861 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -138.44 154.53 48.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -148.53 91.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 72.04 110.874 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.852 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 O4'-C4'-C3' 94.152 -8.106 . 0.0 '__' . 74.34 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 94.213 -8.062 . 0.654 1a . 70.53 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 116.819 8.021 . 0.783 1a . 73.24 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 93.458 -8.602 . 0.822 1a . 72.22 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 94.108 -8.137 . 0.745 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 O4'-C4'-C3' 93.693 -8.433 . 0.787 1a . 72.24 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.861 8.068 . 0.853 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 92.767 -9.095 . 0.778 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 O4'-C4'-C3' 93.557 -8.531 . 0.0 OUTLIER . 74.14 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.856 8.062 . 0.0 OUTLIER . 72.23 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.163 8.403 . 0.185 9a . 73.24 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.018 2 O4'-C4'-C3' 93.885 -8.297 . 0.0 OUTLIER gamma 74.35 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 116.878 8.087 . 0.01 1a . 73.32 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 117.053 8.281 . 0.842 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 93.304 -8.711 . 0.656 1a . 75.23 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 90.931 -10.406 . 0.0 OUTLIER . 72.54 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 117.232 8.48 . 0.0 OUTLIER zeta-1 74.43 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.844 8.049 . 0.657 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 C1'-O4'-C4' 117.134 8.371 . 0.845 1a . 75.22 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.216 8.463 . 0.744 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 O4'-C4'-C3' 93.489 -8.579 . 0.649 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 117.237 8.485 . 0.046 1L . 72.53 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 91.628 -9.909 . 0.0 OUTLIER . 74.25 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 O4'-C4'-C3' 91.448 -10.037 . 0.0 OUTLIER gamma 74.31 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 90.582 -10.655 . 0.0 OUTLIER . 74.22 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.853 8.059 . 0.0 OUTLIER . 74.22 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.76 7.956 . 0.0 OUTLIER . 74.02 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 116.864 8.071 . 0.0 OUTLIER . 74.51 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.842 8.047 . 0.476 1a . 74.33 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 117.197 8.441 . 0.063 1a . 75.1 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.803 8.004 . 0.731 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 93.911 -8.278 . 0.869 1a . 73.33 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 116.783 7.981 . 0.617 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 116.826 8.029 . 0.863 1a . 74.11 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 C1'-O4'-C4' 117.112 8.347 . 0.609 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 O4'-C4'-C3' 93.817 -8.345 . 0.64 1a . 73.5 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.798 7.998 . 0.676 1a . 72.01 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 1 O4'-C4'-C3' 90.732 -10.548 . 0.0 OUTLIER . 75.4 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 1 O4'-C4'-C3' 90.864 -10.454 . 0.0 OUTLIER gamma 75.24 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.803 8.003 . 0.0 OUTLIER . 75.45 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.198 8.442 . 0.0 OUTLIER . 75.02 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 90.215 -10.918 . 0.452 1e . 74.3 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 O4'-C4'-C3' 92.532 -9.263 . 0.329 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.231 8.478 . 0.242 1a . 74.2 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 116.863 8.07 . 0.69 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.219 8.465 . 0.276 1L . 75.53 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 3 C1'-O4'-C4' 116.856 8.063 . 0.0 OUTLIER zeta-1 73.15 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.254 8.505 . 0.0 OUTLIER . 74.32 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 3 C1'-O4'-C4' 117.133 8.37 . 0.0 OUTLIER . 74.43 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 116.797 7.997 . 0.449 1L . 74.4 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 117.043 8.27 . 0.33 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 116.837 8.041 . 0.328 1a . 75.31 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.828 8.032 . 0.233 1a . 71.4 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 3 O4'-C4'-C3' 94.28 -8.014 . 0.657 1a . 73.21 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.869 8.076 . 0.018 1m . 74.32 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 94.025 -8.197 . 0.552 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 92.245 -9.468 . 0.451 1L . 74.44 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.709 7.899 . 0.0 OUTLIER gamma 73.34 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.454 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 O4'-C4'-C3' 92.142 -9.542 . 0.0 OUTLIER gamma 74.54 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.314 -11.603 1 C5'-C4'-O4' 118.421 6.587 OUTLIER-DELTA 0.0 OUTLIER delta 75.43 . . . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 89.956 -11.103 . 0.0 OUTLIER delta-1 73.45 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.838 2 C1'-O4'-C4' 117.076 8.307 . 0.419 1L . 74.3 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 1 O4'-C4'-C3' 91.245 -10.182 . 0.733 1L . 73.05 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . 0.644 " H4'" " O5'" ' B' ' 224' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.398 -4.562 2 O4'-C4'-C3' 94.336 -7.974 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 73.12 . . . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . 0.644 " O5'" " H4'" ' B' ' 223' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 92.568 -9.237 . 0.0 OUTLIER epsilon-1 64.31 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 93.922 -8.27 . 0.01 1L . 75.51 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.861 8.068 . 0.346 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 116.77 7.967 . 0.01 9a . 73.31 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.874 8.082 . 0.757 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.775 7.973 . 0.351 1a . 74.2 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.801 8.001 . 0.762 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.842 8.046 . 0.769 1a . 75.31 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 93.456 -8.603 . 0.731 1a . 74.02 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.11 8.345 . 0.68 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 C1'-O4'-C4' 116.798 7.998 . 0.716 1a . 71.44 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.508 -0.237 . . . . 75.35 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -52.94 -70.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 74.02 110.885 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.73 14.72 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.33 111.139 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 128.52 24.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.94 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.61 -27.95 16.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.789 -0.72 . . . . 74.15 112.505 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.68 124.57 48.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 119.288 -0.387 . . . . 72.32 110.922 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.1 t -73.44 150.47 41.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 74.15 108.295 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.409 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.1 t80 -115.69 -24.22 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.002 -0.999 . . . . 74.34 110.891 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.3 m -65.22 -43.46 91.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 72.23 111.154 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -112.69 -38.07 4.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 74.41 108.249 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.6 35.03 3.92 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.075 -0.966 . . . . 75.33 112.472 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.58 119.57 59.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 75.3 110.848 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 92.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.757 2.304 . . . . 73.33 112.336 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.89 -67.1 0.2 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 74.2 112.514 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -92.83 -172.7 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 74.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.18 177.7 7.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.963 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -50.28 -43.14 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.881 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.26 -29.47 63.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 74.35 111.083 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -119.26 28.28 8.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.54 110.997 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.0 t -84.2 124.16 74.4 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 122.804 1.287 . . . . 73.31 108.278 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -12.52 33.05 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.672 2.248 . . . . 73.4 112.301 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.62 0.7 45.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 74.1 110.906 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.78 104.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.88 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.13 77.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 72.51 110.882 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.6 -64.67 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.905 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.5 m -73.49 165.25 25.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 70.33 110.761 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.48 118.16 1.78 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 73.35 112.459 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -98.11 106.83 19.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 73.04 110.887 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.3 m -118.98 -37.77 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 72.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.49 34.29 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 74.42 110.881 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -156.45 32.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.929 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -102.16 172.72 6.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.07 -0.514 . . . . 74.35 110.876 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -123.44 117.38 25.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 72.23 108.288 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.27 28.66 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.995 -1.002 . . . . 74.55 110.845 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.78 -36.1 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.929 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.94 14.47 5.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 72.03 108.362 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.39 20.68 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.966 -1.015 . . . . 75.01 110.912 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.77 158.47 47.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.784 -0.722 . . . . 64.25 112.542 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 ttt -125.06 97.93 5.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.894 0.378 . . . . 74.35 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.73 -57.46 0.5 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 72.4 112.514 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -86.83 -173.67 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 73.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -118.12 151.63 37.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.935 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.6 -37.11 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 51.51 111.021 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -62.17 -22.15 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 74.03 110.882 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -116.46 16.31 15.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 73.35 110.947 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.98 118.91 29.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 75.42 108.415 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -76.36 165.71 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.078 -0.965 . . . . 71.14 110.891 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -107.87 -65.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.883 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 ttp85 -172.22 -73.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 63.2 110.843 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 O4'-C4'-C3' 93.81 -8.35 . 0.0 '__' . 75.35 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.95 8.166 . 0.62 1a . 71.34 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 116.785 7.983 . 0.554 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 117.124 8.36 . 0.581 1a . 74.54 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 O4'-C4'-C3' 93.845 -8.325 . 0.79 1a . 65.32 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 93.057 -8.888 . 0.781 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.957 8.174 . 0.7 1a . 73.45 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.866 2 C1'-O4'-C4' 116.937 8.152 . 0.741 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.186 8.429 . 0.0 OUTLIER alpha 74.1 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 116.824 8.026 . 0.0 OUTLIER gamma 73.14 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.055 2 O4'-C4'-C3' 94.154 -8.104 . 0.0 OUTLIER '7D dist 3a' 75.01 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.018 2 O4'-C4'-C3' 92.928 -8.98 . 0.0 OUTLIER . 74.34 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 116.765 7.961 . 0.73 1a . 75.04 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 C1'-O4'-C4' 117.226 8.473 . 0.705 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.964 8.182 . 0.623 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 91.503 -9.998 . 0.0 OUTLIER . 74.45 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 116.929 8.143 . 0.0 OUTLIER . 74.4 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.736 7.929 . 0.544 1a . 73.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 93.852 -8.32 . 0.576 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.868 2 C1'-O4'-C4' 117.177 8.419 . 0.639 1a . 73.12 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.824 3 O4'-C4'-C3' 93.421 -8.628 . 0.655 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 117.245 8.495 . 0.036 1L . 74.11 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.831 1 O4'-C4'-C3' 90.741 -10.542 . 0.0 OUTLIER gamma 72.11 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 116.526 7.695 . 0.0 OUTLIER gamma 73.43 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.849 2 O4'-C4'-C3' 91.659 -9.886 . 0.0 OUTLIER . 75.24 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.793 7.993 . 0.0 OUTLIER gamma 74.33 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 116.858 8.065 . 0.0 OUTLIER zeta-1 73.43 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 C1'-O4'-C4' 116.776 7.973 . 0.0 OUTLIER . 73.43 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 116.82 8.022 . 0.442 1a . 73.45 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.159 8.399 . 0.083 1a . 73.31 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 116.884 8.093 . 0.682 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 117.154 8.393 . 0.142 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 116.847 8.052 . 0.156 1a . 74.35 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.822 8.025 . 0.718 1a . 72.45 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 117.191 8.434 . 0.149 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 94.05 -8.179 . 0.69 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.818 8.02 . 0.01 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.675 7.861 . 0.0 OUTLIER . 74.03 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 92.133 -9.548 . 0.0 OUTLIER gamma 74.34 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 C1'-O4'-C4' 116.857 8.064 . 0.0 OUTLIER gamma 74.14 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.038 2 C1'-O4'-C4' 117.208 8.454 . 0.0 OUTLIER '7D dist 3g wannabe' 75.25 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 91.038 -10.33 . 0.0 OUTLIER . 74.51 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 O4'-C4'-C3' 92.576 -9.232 . 0.439 1a . 73.24 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 94.21 -8.064 . 0.329 1a . 73.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.905 8.117 . 0.6 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 117.24 8.489 . 0.105 1L . 74.44 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.832 8.036 . 0.0 OUTLIER . 75.22 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.06 2 C1'-O4'-C4' 117.278 8.532 . 0.0 OUTLIER . 70.23 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 92.678 -9.159 . 0.0 OUTLIER . 72.43 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.833 8.037 . 0.0 OUTLIER zeta-1 72.54 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 O4'-C4'-C3' 93.906 -8.282 . 0.503 1a . 73.14 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 116.745 7.939 . 0.823 1a . 72.05 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.775 7.972 . 0.522 1a . 74.05 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.8 7.999 . 0.405 1a . 73.52 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 116.78 7.978 . 0.0 OUTLIER zeta-1 75.13 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.833 8.037 . 0.01 1m . 74.42 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 117.427 8.696 . 0.284 1L . 74.41 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.034 2 C1'-O4'-C4' 117.614 8.904 . 0.383 1a . 74.11 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.409 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -2.03 3 O4'-C4'-C3' 93.824 -8.34 . 0.351 1g . 75.02 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.65 " H4'" ' OP2' ' B' ' 220' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.361 -7.631 2 C1'-O4'-C4' 118.575 9.973 OUTLIER-EPSILON 0.163 3g . 73.32 . . . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . 0.65 ' OP2' " H4'" ' B' ' 219' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.9 1 O4'-C4'-C3' 91.73 -9.835 . 0.0 OUTLIER epsilon-1 72.32 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 O4'-C4'-C3' 93.187 -8.795 . 0.0 OUTLIER gamma 75.15 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 O4'-C4'-C3' 92.129 -9.551 . 0.166 1L . 71.1 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 1 O4'-C4'-C3' 91.517 -9.988 . 0.164 1a . 75.02 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 2 C1'-O4'-C4' 116.628 7.809 . 0.0 OUTLIER '7D dist 5n wannabe' 74.23 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 117.322 8.58 . 0.0 OUTLIER '7D dist 1a' 74.24 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 116.77 7.967 . 0.429 1a . 73.35 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.058 2 C1'-O4'-C4' 116.806 8.006 . 0.0 OUTLIER . 73.33 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 C1'-O4'-C4' 117.161 8.401 . 0.726 1a . 75.24 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.833 8.036 . 0.725 1a . 74.03 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.831 8.034 . 0.608 1a . 75.54 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.804 8.004 . 0.762 1a . 73.51 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 94.175 -8.089 . 0.775 1a . 71.22 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.97 8.189 . 0.495 1a . 75.45 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.815 8.017 . 0.815 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.563 -0.215 . . . . 70.12 112.563 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -82.52 146.72 29.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 74.4 110.884 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.16 17.32 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 75.31 111.111 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 135.0 28.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 74.23 110.815 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.09 -22.63 39.68 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 62.11 112.468 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.18 122.86 47.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.319 -0.372 . . . . 74.44 110.876 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.1 t -69.45 150.67 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 71.12 108.306 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -116.14 -23.82 8.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.022 -0.99 . . . . 75.22 110.879 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 m -66.07 -43.49 87.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.23 111.157 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.0 p -111.73 -37.97 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 74.32 108.276 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.02 35.27 4.02 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.026 -0.988 . . . . 73.12 112.462 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 t -100.59 119.07 59.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.646 0.736 . . . . 71.32 110.862 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 94.27 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 73.2 112.359 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.7 -65.7 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 74.11 112.51 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -94.41 -174.19 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 74.31 110.867 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.6 176.6 8.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 75.34 110.94 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -51.51 -42.84 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 72.01 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.25 61.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 63.1 111.077 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -122.93 26.22 8.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.903 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -81.11 124.14 81.3 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 122.775 1.274 . . . . 74.34 108.361 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -12.11 32.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.654 2.236 . . . . 73.21 112.326 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -98.75 0.58 44.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 75.25 110.891 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -62.87 1.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 75.43 110.927 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.27 -175.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 72.43 110.907 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -93.33 137.31 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 74.12 110.999 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.4 t -175.02 123.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 75.2 110.846 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.5 175.44 26.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.807 -0.711 . . . . 62.45 112.481 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -174.46 161.48 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 75.21 110.824 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.03 175.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 72.43 110.878 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.5 42.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 74.44 110.86 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -129.5 -66.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.868 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -98.86 168.06 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 73.51 110.958 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.8 t -118.46 118.26 31.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 74.51 108.349 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.23 31.43 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.016 -0.993 . . . . 63.5 110.928 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.27 -35.47 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.848 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 p -131.25 14.9 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 61.54 108.273 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.9 t30 59.17 20.65 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.981 -1.009 . . . . 71.43 110.932 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.83 160.21 38.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.786 -0.721 . . . . 72.22 112.487 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.01 95.32 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.331 . . . . 71.35 110.897 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.57 -57.93 0.48 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.723 -0.751 . . . . 74.31 112.449 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -86.41 -173.15 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 73.23 110.863 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -120.02 153.19 36.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 74.51 110.816 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.99 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 71.51 111.118 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -21.61 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.894 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -121.8 24.91 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 71.53 110.892 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.2 t -80.63 89.08 5.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 74.24 108.25 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.57 -47.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.996 -1.002 . . . . 74.41 110.848 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.42 179.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.875 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.75 158.33 44.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 74.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.835 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.874 8.082 . 0.0 '__' . 75.52 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 C1'-O4'-C4' 117.18 8.422 . 0.784 1a . 75.54 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.803 8.003 . 0.746 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 92.457 -9.316 . 0.751 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 92.955 -8.961 . 0.788 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 93.197 -8.788 . 0.851 1a . 73.11 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 117.043 8.27 . 0.617 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 C1'-O4'-C4' 117.127 8.363 . 0.253 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.181 1 C1'-O4'-C4' 104.395 -5.783 OUTLIER-DELTA 0.0 OUTLIER . 74.13 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 90.613 -10.634 . 0.0 OUTLIER . 75.21 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 O4'-C4'-C3' 92.32 -9.414 . 0.01 3a . 75.3 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.27 8.523 . 0.132 1a . 71.43 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 C1'-O4'-C4' 116.846 8.051 . 0.625 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 117.139 8.376 . 0.538 1a . 74.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.845 2 O4'-C4'-C3' 94.063 -8.169 . 0.694 1a . 75.01 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.856 8.062 . 0.0 OUTLIER gamma 74.42 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.983 8.204 . 0.0 OUTLIER . 75.35 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 116.753 7.947 . 0.553 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 93.963 -8.241 . 0.673 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 117.183 8.426 . 0.276 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 O4'-C4'-C3' 93.503 -8.569 . 0.635 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 117.241 8.491 . 0.025 1L . 75.3 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.617 7.796 . 0.0 OUTLIER gamma 73.25 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 1 C1'-O4'-C4' 104.296 -5.894 OUTLIER-DELTA 0.0 OUTLIER . 74.32 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 1 O4'-C4'-C3' 90.286 -10.867 . 0.0 OUTLIER . 75.52 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.858 8.065 . 0.0 OUTLIER . 73.13 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.827 8.03 . 0.0 OUTLIER . 74.13 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.801 8.001 . 0.0 OUTLIER . 75.32 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.793 7.993 . 0.491 1a . 75.23 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 94.133 -8.119 . 0.347 1a . 75.24 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 C1'-O4'-C4' 116.803 8.003 . 0.258 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 117.088 8.32 . 0.342 1a . 74.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 C1'-O4'-C4' 116.804 8.005 . 0.607 1a . 73.23 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.055 2 C1'-O4'-C4' 116.801 8.001 . 0.593 1a . 75.51 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.202 8.446 . 0.502 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.896 8.107 . 0.647 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.778 7.975 . 0.011 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 3 C1'-O4'-C4' 117.161 8.401 . 0.0 OUTLIER . 74.53 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.061 1 O4'-C4'-C3' 90.097 -11.002 . 0.0 OUTLIER gamma 75.04 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.954 8.171 . 0.0 OUTLIER . 75.34 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.491 3.151 2 C1'-O4'-C4' 114.715 5.683 . 0.0 OUTLIER . 74.33 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 93.885 -8.297 . 0.0 OUTLIER gamma 75.21 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.191 -8.792 . 0.666 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 94.2 -8.072 . 0.626 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 116.893 8.104 . 0.649 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.254 8.504 . 0.156 1L . 75.01 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.791 7.99 . 0.0 OUTLIER gamma 74.52 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 C1'-O4'-C4' 117.206 8.452 . 0.0 OUTLIER . 74.44 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 3 C1'-O4'-C4' 116.867 8.074 . 0.0 OUTLIER . 72.04 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.804 8.005 . 0.43 1L . 75.24 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.064 2 C1'-O4'-C4' 116.984 8.204 . 0.42 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 116.778 7.975 . 0.253 1a . 70.41 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.88 8.088 . 0.277 1a . 71.42 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.844 8.049 . 0.381 1a . 71.45 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.867 2 C1'-O4'-C4' 116.836 8.04 . 0.0 OUTLIER . 70.53 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.556 7.729 . 0.333 1a . 73.11 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 94.155 -8.103 . 0.101 1a . 74.33 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 117.285 8.538 . 0.0 OUTLIER gamma 75.22 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.436 " O2'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.149 2 O4'-C4'-C3' 91.947 -9.681 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.52 . . . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.436 ' OP1' " O2'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.384 -5.739 2 C1'-O4'-C4' 118.119 9.466 . 0.0 OUTLIER epsilon-1 75.25 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 1 O4'-C4'-C3' 91.237 -10.188 . 0.0 OUTLIER gamma 73.41 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.651 7.834 . 0.011 1L . 74.12 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 2 O4'-C4'-C3' 92.832 -9.048 . 0.0 OUTLIER gamma 74.12 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 1 O4'-C4'-C3' 91.61 -9.921 . 0.171 1a . 75.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 2 C1'-O4'-C4' 116.666 7.851 . 0.01 5n . 71.12 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 117.154 8.393 . 0.019 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 3 C1'-O4'-C4' 116.726 7.918 . 0.157 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 116.744 7.938 . 0.115 1L . 71.24 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 93.018 -8.916 . 0.328 1a . 75.3 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 116.829 8.032 . 0.164 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.847 8.052 . 0.173 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 116.84 8.044 . 0.459 1a . 75.51 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 94.04 -8.186 . 0.779 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.269 8.521 . 0.349 1a . 75.03 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 116.794 7.993 . 0.746 1a . 71.01 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.513 -0.235 . . . . 53.53 112.513 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.2 -75.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.806 0.336 . . . . 75.22 110.902 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.89 16.31 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 63.51 111.08 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.61 129.75 40.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 75.4 110.865 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.65 -23.33 36.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 65.25 112.535 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.23 118.67 37.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 119.31 -0.376 . . . . 73.2 110.874 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -67.43 150.4 48.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 62.22 108.358 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -115.51 -24.25 8.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.113 -0.949 . . . . 70.11 110.967 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.5 m -65.45 -43.98 88.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 71.53 111.194 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.6 -38.02 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 75.14 108.254 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.39 34.95 4.01 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.018 -0.992 . . . . 63.11 112.482 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.47 118.28 62.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.758 . . . . 65.51 110.887 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 90.24 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.651 2.234 . . . . 74.04 112.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.07 -63.38 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.821 -0.704 . . . . 71.32 112.54 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -96.99 -173.92 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 64.42 110.849 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.04 176.13 8.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.861 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.4 -42.87 61.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 73.51 110.88 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.68 -25.32 62.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 74.21 111.07 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -121.65 26.12 8.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 71.04 110.913 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -81.34 124.21 80.71 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 122.793 1.282 . . . . 73.24 108.34 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -12.2 32.36 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.677 2.251 . . . . 72.13 112.379 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -97.8 0.04 46.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 73.05 110.874 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 115.49 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.845 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -75.74 -73.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.23 110.809 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.04 -74.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 65.24 110.875 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.402 ' HG ' ' NE2' ' A' ' 48' ' ' GLN . 1.6 t -179.2 -74.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.875 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.54 -28.83 10.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 75.24 112.551 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -170.97 172.45 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 73.44 110.871 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.35 178.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 64.54 110.823 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.67 -66.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 73.53 110.873 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -122.9 27.94 7.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.3 110.96 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -101.14 167.92 9.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.476 . . . . 74.34 110.835 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.4 t -118.74 118.6 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 75.1 108.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.402 ' NE2' ' HG ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -95.11 31.62 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.93 -1.032 . . . . 64.31 110.889 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.82 -35.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 75.12 110.895 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 p -131.71 14.84 4.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 52.34 108.302 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 58.95 20.88 8.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.959 -1.019 . . . . 74.22 110.91 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.14 157.75 39.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 74.42 112.488 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.0 ttm -123.5 94.08 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 71.21 110.896 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.27 -56.91 0.48 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 74.33 112.468 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -88.03 -172.93 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.757 0.313 . . . . 74.33 110.852 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.32 154.14 36.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 74.05 110.846 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.67 -42.83 75.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 72.13 111.133 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -59.68 -22.33 61.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 70.23 110.865 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -122.86 26.22 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.867 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.4 t -80.44 118.95 22.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 73.15 108.319 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 56.0 -177.33 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.031 -0.986 . . . . 65.41 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt 60.51 55.28 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -142.51 -68.69 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.868 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.898 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 117.044 8.271 . 0.0 '__' . 73.35 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.921 8.135 . 0.731 1a . 73.12 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.841 8.046 . 0.663 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 117.25 8.5 . 0.689 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.043 2 C1'-O4'-C4' 117.222 8.469 . 0.703 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.804 2 O4'-C4'-C3' 93.412 -8.634 . 0.639 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.886 8.095 . 0.698 1a . 65.14 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 117.003 8.226 . 0.531 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 1 O4'-C4'-C3' 90.162 -10.955 . 0.0 OUTLIER gamma 75.53 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 3 C1'-O4'-C4' 116.831 8.034 . 0.0 OUTLIER . 73.12 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 C1'-O4'-C4' 116.915 8.127 . 0.101 9a . 75.5 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 92.971 -8.949 . 0.0 OUTLIER gamma 74.41 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.843 8.048 . 0.023 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 3 O4'-C4'-C3' 93.669 -8.451 . 0.642 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 O4'-C4'-C3' 92.63 -9.193 . 0.687 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 3 O4'-C4'-C3' 92.617 -9.202 . 0.01 3g . 75.01 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.864 8.071 . 0.0 OUTLIER zeta-1 74.31 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 116.805 8.006 . 0.131 1a . 75.55 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 117.005 8.228 . 0.767 1a . 75.21 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 O4'-C4'-C3' 93.934 -8.261 . 0.638 1a . 75.13 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.868 3 O4'-C4'-C3' 93.472 -8.592 . 0.633 1a . 71.41 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.263 8.515 . 0.019 1L . 73.01 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.094 2 C1'-O4'-C4' 117.109 8.344 . 0.0 OUTLIER . 75.34 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 93.548 -8.537 . 0.0 OUTLIER . 74.51 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.033 1 O4'-C4'-C3' 90.673 -10.591 . 0.0 OUTLIER . 72.35 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 116.783 7.981 . 0.0 OUTLIER gamma 73.42 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 C1'-O4'-C4' 116.845 8.05 . 0.012 7d . 75.2 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 116.828 8.031 . 0.0 OUTLIER . 75.11 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 C1'-O4'-C4' 116.821 8.023 . 0.445 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 116.899 8.11 . 0.275 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.812 2 C1'-O4'-C4' 116.804 8.005 . 0.75 1a . 75.23 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.072 2 O4'-C4'-C3' 94.207 -8.067 . 0.453 1a . 74.5 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.061 2 C1'-O4'-C4' 116.803 8.003 . 0.753 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.78 7.978 . 0.832 1a . 73.51 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 3 C1'-O4'-C4' 116.817 8.019 . 0.3 1a . 75.52 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 O4'-C4'-C3' 92.374 -9.376 . 0.345 1a . 74.55 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 O4'-C4'-C3' 93.859 -8.315 . 0.019 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 3 O4'-C4'-C3' 92.397 -9.359 . 0.012 3a . 75.43 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 1 C1'-O4'-C4' 103.442 -6.842 OUTLIER-DELTA 0.0 OUTLIER . 74.11 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 116.72 7.911 . 0.0 OUTLIER . 74.45 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.485 2.679 2 C1'-O4'-C4' 115.234 6.26 . 0.0 OUTLIER . 75.45 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.549 -9.251 . 0.051 1e . 75.43 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.991 8.212 . 0.566 1a . 75.5 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.834 8.037 . 0.737 1a . 73.34 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 C1'-O4'-C4' 116.898 8.109 . 0.673 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 117.184 8.426 . 0.302 1L . 74.42 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.835 3 C1'-O4'-C4' 116.798 7.998 . 0.0 OUTLIER zeta-1 74.12 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.866 2 C1'-O4'-C4' 117.242 8.491 . 0.0 OUTLIER . 74.22 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.87 3 C1'-O4'-C4' 117.137 8.375 . 0.0 OUTLIER . 75.1 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.842 8.047 . 0.45 1L . 74.33 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 C1'-O4'-C4' 117.039 8.265 . 0.226 1a . 71.23 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.797 7.996 . 0.278 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.863 8.07 . 0.104 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.799 7.999 . 0.641 1a . 73.45 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.558 7.731 . 0.137 1m . 71.54 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 C1'-O4'-C4' 116.865 8.072 . 0.01 1m . 74.33 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.126 8.362 . 0.428 1L . 74.33 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 C1'-O4'-C4' 116.725 7.916 . 0.48 1a . 74.2 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.422 " H4'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 91.676 -9.874 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.42 . . . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.422 ' OP1' " H4'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.363 -7.516 2 C1'-O4'-C4' 118.529 9.921 . 0.0 OUTLIER epsilon-1 75.01 . . . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 1 O4'-C4'-C3' 89.781 -11.228 . 0.0 OUTLIER gamma 74.3 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 117.045 8.272 . 0.0 OUTLIER '7D dist 1a' 73.24 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.999 2 C1'-O4'-C4' 117.411 8.679 . 0.0 OUTLIER '7D dist 1a' 74.5 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.366 2 O4'-C4'-C3' 93.188 -8.794 . 0.275 1a . 72.52 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 2 C1'-O4'-C4' 117.576 8.863 . 0.0 OUTLIER gamma 73.24 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 92.003 -9.641 . 0.423 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 94.262 -8.027 . 0.343 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.827 8.03 . 0.0 OUTLIER . 73.5 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 116.946 8.162 . 0.591 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.822 8.024 . 0.455 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.081 2 C1'-O4'-C4' 116.809 8.01 . 0.777 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 116.78 7.978 . 0.384 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 117.182 8.425 . 0.557 1a . 73.41 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.835 2 C1'-O4'-C4' 117.173 8.414 . 0.796 1a . 73.43 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 116.861 8.067 . 0.796 1a . 71.52 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.528 -0.229 . . . . 61.42 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -69.06 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.82 0.343 . . . . 73.0 110.881 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.35 13.52 8.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 75.43 111.086 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -65.37 89.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 70.24 110.902 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.32 -9.95 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 44.32 112.493 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.22 118.78 33.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 119.36 -0.352 . . . . 74.3 110.928 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.7 t -60.57 142.33 55.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 64.4 108.289 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -110.3 38.87 2.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.002 -0.999 . . . . 75.4 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.6 m -139.93 -48.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 72.44 111.159 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.29 -37.57 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 74.44 108.263 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.27 30.16 4.25 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.002 -0.999 . . . . 62.12 112.453 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -100.09 118.36 61.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.683 0.754 . . . . 72.53 110.885 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 98.38 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 73.14 112.339 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.7 -67.18 0.25 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 75.2 112.509 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -92.38 171.17 9.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 73.35 110.905 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.39 173.33 6.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 73.53 110.989 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -50.18 -40.59 47.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.69 70.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 64.14 111.116 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -109.24 17.32 21.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 73.53 110.969 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -74.08 124.36 89.99 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 122.788 1.28 . . . . 75.11 108.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -12.01 32.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 2.285 . . . . 74.31 112.342 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -98.27 0.5 45.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.852 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.39 -179.63 4.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 63.12 110.885 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -114.07 -169.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.847 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -115.46 -170.73 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 74.15 110.946 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.81 -169.81 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.927 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.42 -156.85 28.83 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.745 -0.741 . . . . 60.15 112.496 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -179.27 125.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 74.05 110.851 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.32 -74.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 64.34 110.863 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.91 139.33 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 72.41 110.851 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 63.98 107.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.864 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -92.88 169.16 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 75.25 110.826 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -120.73 117.89 28.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 75.54 108.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -94.69 31.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.993 -1.003 . . . . 75.15 110.873 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.45 -35.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.889 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.2 p -131.85 15.06 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 73.54 108.371 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.13 19.22 8.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.936 -1.029 . . . . 74.24 110.937 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.44 162.59 28.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 63.41 112.483 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -132.21 90.9 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 74.44 110.837 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.95 -47.01 0.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 71.32 112.507 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -97.77 -173.85 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.826 0.346 . . . . 73.45 110.871 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -116.53 150.91 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.886 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.46 -40.99 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 73.24 111.079 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -60.64 -24.28 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 74.12 110.897 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -117.26 22.77 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 73.12 110.98 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.9 t -81.87 102.68 11.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 75.03 108.307 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 53.78 -173.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.039 -0.982 . . . . 71.43 110.869 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.27 168.94 18.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.891 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.31 106.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 73.34 110.794 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.5 t0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 71.1 110.844 179.931 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 117.082 8.313 . 0.0 '__' . 75.34 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.903 8.115 . 0.806 1a . 75.22 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.778 7.975 . 0.475 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 117.233 8.481 . 0.654 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 117.226 8.473 . 0.603 1a . 75.35 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.828 2 C1'-O4'-C4' 116.813 8.014 . 0.8 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 C1'-O4'-C4' 116.765 7.961 . 0.806 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.101 8.334 . 0.243 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 116.955 8.173 . 0.0 OUTLIER gamma 74.51 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 3 O4'-C4'-C3' 92.467 -9.309 . 0.0 OUTLIER zeta-1 74.53 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.179 8.421 . 0.01 9a . 74.23 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 O4'-C4'-C3' 92.278 -9.444 . 0.0 OUTLIER '7D dist 7a' 74.44 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.796 7.995 . 0.515 1a . 71.44 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 92.962 -8.956 . 0.438 1a . 73.44 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 91.974 -9.661 . 0.836 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 O4'-C4'-C3' 91.553 -9.962 . 0.0 OUTLIER gamma 75.34 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 O4'-C4'-C3' 94.016 -8.203 . 0.0 OUTLIER . 75.23 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.852 2 C1'-O4'-C4' 116.748 7.943 . 0.529 1a . 65.41 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 O4'-C4'-C3' 93.513 -8.562 . 0.726 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.086 2 O4'-C4'-C3' 93.36 -8.671 . 0.594 1a . 74.5 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 3 O4'-C4'-C3' 93.464 -8.597 . 0.611 1a . 73.32 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 117.278 8.531 . 0.013 1L . 75.13 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 O4'-C4'-C3' 91.262 -10.17 . 0.0 OUTLIER . 75.43 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 90.111 -10.992 . 0.076 1f . 74.32 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 1 O4'-C4'-C3' 91.071 -10.306 . 0.0 OUTLIER . 75.1 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.867 2 C1'-O4'-C4' 116.817 8.019 . 0.0 OUTLIER . 73.54 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.866 3 C1'-O4'-C4' 116.864 8.071 . 0.0 OUTLIER . 75.44 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 3 C1'-O4'-C4' 116.792 7.991 . 0.0 OUTLIER . 74.3 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.867 8.074 . 0.376 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 116.893 8.103 . 0.304 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 116.824 8.027 . 0.549 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 94.083 -8.155 . 0.781 1a . 75.24 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.836 8.04 . 0.826 1a . 73.54 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 116.853 8.059 . 0.644 1a . 74.33 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.888 8.097 . 0.678 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 93.933 -8.262 . 0.546 1a . 75.45 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 116.745 7.939 . 0.662 1a . 74.13 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 O4'-C4'-C3' 92.443 -9.326 . 0.0 OUTLIER gamma 73.35 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 1 C1'-O4'-C4' 103.659 -6.601 OUTLIER-DELTA 0.0 OUTLIER . 74.31 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 116.542 7.713 . 0.0 OUTLIER . 74.33 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.486 2.727 2 C1'-O4'-C4' 115.271 6.301 . 0.0 OUTLIER . 75.32 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 O4'-C4'-C3' 92.526 -9.267 . 0.051 1e . 74.35 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 93.763 -8.383 . 0.628 1a . 72.11 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.846 8.051 . 0.376 1a . 73.23 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 C1'-O4'-C4' 116.886 8.095 . 0.737 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.202 8.446 . 0.237 1L . 73.44 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 3 C1'-O4'-C4' 116.814 8.015 . 0.0 OUTLIER zeta-1 75.1 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 117.285 8.539 . 0.0 OUTLIER . 73.31 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 3 C1'-O4'-C4' 117.182 8.424 . 0.0 OUTLIER . 75.1 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 116.862 8.069 . 0.445 1L . 74.52 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 117.086 8.318 . 0.47 1a . 75.55 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 C1'-O4'-C4' 116.811 8.013 . 0.229 1a . 73.21 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 116.834 8.038 . 0.161 1a . 71.33 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.84 8.044 . 0.166 1a . 73.03 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.864 2 C1'-O4'-C4' 116.668 7.853 . 0.06 1m . 75.21 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.763 7.959 . 0.474 1a . 73.45 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.228 8.475 . 0.298 1L . 74.25 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 94.082 -8.156 . 0.793 1a . 73.41 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.413 " H4'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 92.268 -9.452 OUTLIER-EPSILON 0.0 OUTLIER gamma 73.34 . . . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.413 ' OP1' " H4'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.36 -7.723 2 C1'-O4'-C4' 118.59 9.989 . 0.0 OUTLIER epsilon-1 75.1 . . . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 1 O4'-C4'-C3' 89.982 -11.085 . 0.0 OUTLIER gamma 74.41 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 93.214 -8.776 . 0.0 OUTLIER gamma 73.13 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 2 O4'-C4'-C3' 94.167 -8.095 . 0.0 OUTLIER gamma 74.24 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 1 O4'-C4'-C3' 91.546 -9.967 . 0.227 1a . 75.22 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.867 3 O4'-C4'-C3' 92.418 -9.344 . 0.0 OUTLIER '7D dist 5n wannabe' 74.15 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.043 8.27 . 0.01 1L . 72.42 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 93.482 -8.584 . 0.547 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 93.941 -8.256 . 0.0 OUTLIER . 74.11 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 117.066 8.296 . 0.341 1a . 74.54 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 116.824 8.027 . 0.605 1a . 73.03 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.828 8.031 . 0.15 1a . 73.52 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.89 8.1 . 0.01 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.259 8.51 . 0.598 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 117.008 8.231 . 0.819 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.789 7.988 . 0.669 1a . 75.15 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.481 -0.247 . . . . 52.4 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.53 153.04 18.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.359 . . . . 73.22 110.824 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.4 25.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 52.33 111.077 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -63.48 88.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.866 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.69 -14.35 0.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 53.31 112.49 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.95 121.74 43.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 119.318 -0.373 . . . . 60.24 110.895 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -64.24 140.77 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 74.12 108.242 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -108.1 39.66 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.997 -1.001 . . . . 75.32 110.919 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.1 m -140.43 -48.38 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 72.42 111.122 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -110.54 -37.35 5.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 74.15 108.322 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.01 30.03 4.37 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 114.945 -1.025 . . . . 63.04 112.493 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -99.39 118.6 62.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 73.31 110.885 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 96.72 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.725 2.283 . . . . 72.21 112.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.38 -68.82 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 54.11 112.528 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -90.48 171.46 9.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 72.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -114.03 173.96 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.922 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.87 -40.78 63.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 72.45 110.92 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.78 -18.13 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.01 111.061 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.27 16.97 9.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 72.05 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.8 t -71.23 124.27 90.71 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.832 1.301 . . . . 64.42 108.266 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -12.96 33.89 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.684 2.256 . . . . 71.53 112.368 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -97.27 1.17 49.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 75.02 110.953 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.1 23.95 5.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.85 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -96.59 172.81 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 74.53 110.858 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.99 169.38 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 75.2 110.877 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 m -91.65 -68.84 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 73.13 110.866 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.98 151.81 14.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.68 -0.772 . . . . 71.35 112.43 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -146.71 42.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 73.23 110.874 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.0 m -82.59 -171.2 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 63.44 110.88 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -124.87 165.64 17.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 74.12 110.865 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 61.28 26.3 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 75.02 110.859 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -102.34 172.84 6.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.902 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.4 t -123.6 117.19 24.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 64.12 108.284 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.96 28.77 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.02 -0.991 . . . . 72.1 110.854 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.91 -36.09 2.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.9 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -130.06 14.35 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 63.33 108.333 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 59.61 20.78 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.969 -1.014 . . . . 75.51 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.96 158.11 48.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.776 -0.726 . . . . 74.44 112.455 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.0 ttm -124.63 97.73 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.839 0.352 . . . . 74.44 110.908 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.89 -57.69 0.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.69 -0.767 . . . . 62.02 112.464 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -86.55 -173.4 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 73.34 110.882 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.56 151.27 38.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.11 110.935 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.24 -37.71 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 72.3 111.042 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -22.22 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.875 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.64 16.04 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.886 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.1 t -87.88 139.29 30.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 75.42 108.343 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 52.0 85.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.028 -0.987 . . . . 73.52 110.905 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -154.27 -62.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 74.21 110.859 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.37 44.01 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.86 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.935 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.211 8.457 . 0.0 '__' . 74.5 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.971 8.19 . 0.637 1a . 75.31 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.808 8.009 . 0.576 1a . 72.31 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.149 8.388 . 0.568 1a . 74.54 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 117.04 8.267 . 0.62 1a . 74.3 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 93.775 -8.375 . 0.855 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.063 8.292 . 0.767 1a . 71.13 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 94.105 -8.139 . 0.693 1a . 73.11 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.85 2 O4'-C4'-C3' 92.087 -9.581 . 0.0 OUTLIER . 72.5 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.346 7.495 . 0.0 OUTLIER . 74.4 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 O4'-C4'-C3' 92.942 -8.97 . 0.194 9a . 75.12 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 117.252 8.502 . 0.0 OUTLIER . 75.11 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.838 2 C1'-O4'-C4' 116.836 8.04 . 0.531 1a . 73.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.004 8.227 . 0.514 1a . 72.33 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 O4'-C4'-C3' 93.527 -8.552 . 0.632 1a . 75.3 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 93.378 -8.658 . 0.0 OUTLIER . 73.44 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.107 8.341 . 0.0 OUTLIER . 73.32 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 116.841 8.046 . 0.569 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 O4'-C4'-C3' 94.071 -8.164 . 0.686 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 117.229 8.477 . 0.533 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 93.485 -8.582 . 0.665 1a . 74.11 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 117.264 8.516 . 0.034 1L . 75.1 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.394 1 C1'-O4'-C4' 102.491 -7.899 OUTLIER-EPSILON 0.0 OUTLIER . 73.4 . . . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 1 O4'-C4'-C3' 90.544 -10.683 . 0.0 OUTLIER epsilon-1 74.44 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 1 O4'-C4'-C3' 91.084 -10.297 . 0.116 1f . 73.22 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.839 8.043 . 0.0 OUTLIER gamma 75.14 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 116.874 8.082 . 0.0 OUTLIER . 74.23 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 3 C1'-O4'-C4' 116.837 8.041 . 0.0 OUTLIER . 71.31 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.815 8.017 . 0.399 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 117.076 8.307 . 0.273 1a . 75.52 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 116.885 8.095 . 0.688 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.818 2 O4'-C4'-C3' 93.984 -8.226 . 0.709 1a . 73.33 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.763 7.959 . 0.829 1a . 75.52 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 C1'-O4'-C4' 116.788 7.987 . 0.841 1a . 73.15 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 117.243 8.493 . 0.598 1a . 72.34 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 C1'-O4'-C4' 117.119 8.355 . 0.475 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.844 8.049 . 0.587 1a . 74.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 O4'-C4'-C3' 92.09 -9.579 . 0.0 OUTLIER . 73.31 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 1 O4'-C4'-C3' 90.883 -10.44 . 0.0 OUTLIER gamma 73.33 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 116.908 8.12 . 0.0 OUTLIER . 74.15 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 1 C1'-O4'-C4' 115.261 6.29 . 0.0 OUTLIER gamma 74.21 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 3 O4'-C4'-C3' 90.901 -10.428 . 0.123 1e . 74.13 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 93.253 -8.748 . 0.301 1a . 75.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 C1'-O4'-C4' 117.105 8.339 . 0.286 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.876 8.084 . 0.697 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 117.163 8.404 . 0.304 1L . 73.5 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 3 C1'-O4'-C4' 116.882 8.091 . 0.0 OUTLIER zeta-1 75.41 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.057 2 C1'-O4'-C4' 117.255 8.506 . 0.0 OUTLIER '7D dist &a' 71.41 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 C1'-O4'-C4' 117.152 8.391 . 0.0 OUTLIER . 74.44 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 116.856 8.063 . 0.445 1L . 71.01 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 117.151 8.39 . 0.462 1a . 74.3 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.736 7.929 . 0.237 1a . 74.1 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.793 7.992 . 0.36 1a . 73.3 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 116.774 7.971 . 0.251 1L . 75.43 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 116.841 8.045 . 0.0 OUTLIER zeta-1 74.42 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 116.789 7.987 . 0.545 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 117.176 8.418 . 0.435 1L . 73.12 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.788 7.987 . 0.504 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 92.359 -9.387 OUTLIER-EPSILON 0.0 OUTLIER gamma 75.54 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.371 -6.793 2 C1'-O4'-C4' 118.398 9.775 . 0.0 OUTLIER epsilon-1 75.14 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 1 O4'-C4'-C3' 89.827 -11.195 . 0.0 OUTLIER gamma 74.41 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 117.115 8.35 . 0.0 OUTLIER '7D dist 1a' 75.12 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 C1'-O4'-C4' 117.377 8.642 . 0.0 OUTLIER '7D dist 1a' 74.54 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.195 2 O4'-C4'-C3' 92.821 -9.056 . 0.275 1a . 73.24 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 2 C1'-O4'-C4' 117.443 8.714 . 0.0 OUTLIER gamma 74.41 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.239 8.488 . 0.162 1a . 73.22 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 116.829 8.032 . 0.557 1a . 75.12 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 C1'-O4'-C4' 116.816 8.018 . 0.012 7a . 73.03 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.886 8.096 . 0.774 1a . 75.15 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.852 8.058 . 0.746 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.815 8.017 . 0.345 1a . 73.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.875 8.083 . 0.731 1a . 73.31 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.001 8.223 . 0.74 1a . 75.31 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 117.124 8.36 . 0.673 1a . 72.35 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.749 7.944 . 0.529 1a . 74.11 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 112.562 -0.215 . . . . 52.4 112.562 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 63.1 103.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.862 0.363 . . . . 73.13 110.87 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.7 22.53 6.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 75.34 111.048 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 135.05 26.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 75.05 110.917 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.3 -22.22 41.97 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 70.34 112.512 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.04 123.4 48.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 119.251 -0.404 . . . . 74.34 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.21 148.32 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.614 1.196 . . . . 62.45 108.335 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -114.35 -23.42 9.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.002 -0.999 . . . . 65.31 110.914 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.7 m -66.74 -43.14 84.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 63.31 111.199 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -111.77 -36.94 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 72.32 108.288 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.59 35.29 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.022 -0.99 . . . . 70.51 112.471 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.2 m -106.0 115.4 61.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.639 0.733 . . . . 72.13 110.787 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 96.42 0.6 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.694 2.263 . . . . 71.01 112.306 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.2 -26.06 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.743 . . . . 75.32 112.493 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -140.72 -175.04 4.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 70.02 110.828 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -129.46 178.21 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.959 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.4 -43.5 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 74.33 110.892 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.63 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.31 111.076 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -122.77 27.26 7.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 75.42 110.88 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.0 t -81.51 124.24 80.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.857 1.313 . . . . 74.12 108.285 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -12.41 32.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.799 2.333 . . . . 75.12 112.329 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -98.81 0.25 43.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.871 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -83.08 107.5 15.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.925 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -161.3 44.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.874 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.25 122.07 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.921 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.75 166.58 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 72.25 110.863 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.74 129.25 1.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 75.45 112.466 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -174.29 139.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 73.34 110.954 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m -78.14 141.01 39.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 74.12 110.901 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -178.96 -170.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 74.34 110.947 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -57.1 -24.24 52.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.913 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 -94.91 170.04 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 74.12 110.882 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.9 t -121.0 117.42 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 74.41 108.269 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -94.72 29.98 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.942 -1.027 . . . . 75.15 110.971 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.37 -35.51 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 72.53 110.848 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.3 p -130.9 14.6 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 71.22 108.301 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 59.78 20.19 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.03 -0.986 . . . . 65.21 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.45 161.37 38.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 64.44 112.506 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -128.56 95.32 4.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 71.22 110.97 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.52 -56.76 0.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 73.1 112.447 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -86.84 -173.51 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 75.15 110.872 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -117.88 150.61 38.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 73.33 110.861 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.24 -37.33 72.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 75.52 111.127 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -62.3 -22.23 65.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 70.34 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.02 16.48 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 65.43 110.916 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.7 t -89.24 138.86 31.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 73.52 108.288 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 58.35 57.49 3.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.952 -1.022 . . . . 75.13 110.869 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.5 -62.49 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 71.02 110.857 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -143.19 139.45 30.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.889 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 73.11 110.855 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 93.66 -8.457 . 0.0 '__' . 73.14 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.982 8.202 . 0.476 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 116.785 7.984 . 0.764 1a . 71.43 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.042 8.269 . 0.685 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 94.011 -8.206 . 0.888 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 94.049 -8.179 . 0.385 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 117.149 8.388 . 0.7 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 116.852 8.058 . 0.065 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 90.75 -10.536 . 0.0 OUTLIER . 75.42 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 O4'-C4'-C3' 92.44 -9.329 . 0.0 OUTLIER . 74.31 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 O4'-C4'-C3' 91.236 -10.189 . 0.278 9a . 74.32 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 93.968 -8.237 . 0.57 1a . 73.4 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 C1'-O4'-C4' 116.735 7.928 . 0.527 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 C1'-O4'-C4' 116.968 8.186 . 0.835 1a . 72.32 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 93.318 -8.702 . 0.541 1a . 74.54 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 O4'-C4'-C3' 92.185 -9.51 . 0.297 3d . 74.52 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.954 8.171 . 0.0 OUTLIER . 74.52 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 116.813 8.015 . 0.484 1a . 73.34 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 O4'-C4'-C3' 93.526 -8.553 . 0.765 1a . 72.05 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 117.119 8.355 . 0.453 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 O4'-C4'-C3' 93.288 -8.723 . 0.652 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 117.194 8.437 . 0.061 1L . 74.04 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 O4'-C4'-C3' 91.537 -9.973 . 0.0 OUTLIER . 75.51 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 93.351 -8.678 . 0.0 OUTLIER . 73.21 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 1 O4'-C4'-C3' 90.575 -10.661 . 0.0 OUTLIER . 74.32 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.047 2 C1'-O4'-C4' 116.799 7.999 . 0.045 1f . 74.21 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 3 C1'-O4'-C4' 116.804 8.004 . 0.0 OUTLIER . 73.5 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.857 8.063 . 0.0 OUTLIER . 74.52 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.868 2 C1'-O4'-C4' 116.817 8.019 . 0.518 1a . 73.54 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 117.14 8.378 . 0.071 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.788 7.986 . 0.78 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 94.176 -8.089 . 0.785 1a . 73.45 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.862 8.069 . 0.686 1a . 75.1 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.839 8.043 . 0.447 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 C1'-O4'-C4' 117.183 8.426 . 0.58 1a . 74.5 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 94.005 -8.211 . 0.46 1a . 73.03 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 116.788 7.986 . 0.0 OUTLIER '7D dist 1a' 75.42 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 91.761 -9.814 . 0.0 OUTLIER gamma 75.42 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . 0.426 ' H6 ' " H1'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 91.258 -10.173 . 0.0 OUTLIER . 75.25 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.852 8.058 . 0.052 1g . 75.1 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . 0.426 " H1'" ' H6 ' ' B' ' 198' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.487 2.831 2 C1'-O4'-C4' 114.463 5.404 . 0.0 OUTLIER . 72.54 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 93.28 -8.729 . 0.01 1e . 73.43 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 O4'-C4'-C3' 93.792 -8.363 . 0.644 1a . 75.31 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 C1'-O4'-C4' 116.884 8.093 . 0.353 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.916 8.129 . 0.683 1a . 75.13 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.838 2 C1'-O4'-C4' 117.183 8.426 . 0.284 1L . 72.32 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 3 C1'-O4'-C4' 116.776 7.973 . 0.0 OUTLIER zeta-1 73.2 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 C1'-O4'-C4' 117.245 8.495 . 0.0 OUTLIER '7D dist &a' 72.34 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.054 3 C1'-O4'-C4' 117.176 8.418 . 0.0 OUTLIER . 74.41 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.798 7.998 . 0.451 1L . 74.4 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.114 8.349 . 0.498 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 116.79 7.989 . 0.229 1a . 73.32 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.837 8.041 . 0.07 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.788 7.987 . 0.467 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.846 8.051 . 0.0 OUTLIER . 74.41 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.59 7.766 . 0.424 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 O4'-C4'-C3' 92.952 -8.963 . 0.619 1L . 75.15 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.796 7.995 . 0.795 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.428 " H4'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 91.819 -9.772 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.23 . . . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.428 ' OP1' " H4'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.358 -7.951 2 C1'-O4'-C4' 118.603 10.004 . 0.0 OUTLIER epsilon-1 73.44 . . . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 1 O4'-C4'-C3' 89.907 -11.138 . 0.0 OUTLIER gamma 74.14 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 93.711 -8.421 . 0.0 OUTLIER gamma 75.15 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 2 O4'-C4'-C3' 94.032 -8.191 . 0.068 1a . 72.22 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.337 1 O4'-C4'-C3' 91.629 -9.908 . 0.229 1a . 72.11 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 3 O4'-C4'-C3' 92.697 -9.145 . 0.01 5n . 74.42 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 117.287 8.541 . 0.01 1L . 74.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 C1'-O4'-C4' 116.83 8.034 . 0.484 1a . 73.41 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.841 8.045 . 0.0 OUTLIER . 73.23 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.226 8.473 . 0.665 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.825 8.028 . 0.388 1a . 74.3 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.8 7.999 . 0.651 1a . 74.13 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.814 8.016 . 0.651 1a . 75.15 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.944 8.16 . 0.757 1a . 73.34 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.972 8.192 . 0.799 1a . 75.45 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.786 7.985 . 0.723 1a . 73.04 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.53 -0.228 . . . . 64.03 112.53 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -52.05 -55.66 19.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 75.01 110.85 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.78 15.56 9.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 64.54 111.106 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 130.33 42.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.843 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.43 -22.69 39.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 74.13 112.478 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.06 119.8 39.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 119.277 -0.392 . . . . 65.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.16 150.59 48.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 74.34 108.243 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -115.92 -23.79 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.982 -1.008 . . . . 74.53 110.916 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.4 m -65.99 -43.73 86.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 75.43 111.1 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.51 -38.01 5.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 71.04 108.35 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 34.98 3.99 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 114.921 -1.036 . . . . 61.02 112.516 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -99.92 118.32 61.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 64.31 110.875 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 91.3 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.746 2.297 . . . . 71.15 112.303 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.04 -63.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.663 -0.779 . . . . 74.23 112.41 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -96.69 -174.61 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 75.43 110.851 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.42 176.2 8.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.919 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -51.73 -42.68 62.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 62.33 110.902 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.97 -23.53 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.55 111.144 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -123.37 25.53 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 72.01 110.958 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.5 t -80.61 124.22 82.14 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 122.754 1.264 . . . . 62.22 108.319 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -12.01 32.03 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.675 2.25 . . . . 72.04 112.314 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 0.36 44.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.55 110.949 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -86.1 -26.11 25.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.917 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -166.42 140.61 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 74.4 110.854 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -120.08 -173.1 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 72.13 110.895 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.3 t -178.65 161.1 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 73.4 110.828 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.63 -132.21 5.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 62.24 112.544 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -128.7 134.2 48.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.362 . . . . 74.14 110.832 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -81.1 -172.17 3.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.885 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -111.07 -43.86 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.879 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -114.11 81.95 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.859 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -106.07 173.92 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 71.03 110.874 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t -123.67 117.18 24.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 73.04 108.3 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.98 29.17 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.98 -1.009 . . . . 64.54 110.925 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.4 -35.66 2.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.966 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.7 p -130.51 14.32 5.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 72.35 108.257 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 m120 59.16 21.12 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.027 -0.988 . . . . 72.12 110.911 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.93 159.14 49.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.761 . . . . 55.45 112.509 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.6 ttt -125.77 100.8 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 65.1 110.907 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.31 -53.59 0.58 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.683 -0.77 . . . . 64.04 112.441 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -91.51 -173.52 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 71.33 110.881 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.45 151.47 37.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 62.11 110.877 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.27 -37.35 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.061 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -22.47 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 74.15 110.869 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -116.1 15.97 16.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.879 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.2 t -88.68 139.98 29.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 74.03 108.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 53.66 55.63 8.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.051 -0.977 . . . . 75.53 110.875 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.99 -49.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.908 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 59.04 80.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 70.35 110.879 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 75.13 110.906 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 C1'-O4'-C4' 116.82 8.023 . 0.0 '__' . 74.54 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.119 8.355 . 0.554 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.866 2 C1'-O4'-C4' 116.817 8.019 . 0.348 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.841 8.046 . 0.776 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 93.378 -8.658 . 0.724 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 92.95 -8.964 . 0.718 1a . 73.22 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 117.225 8.472 . 0.253 1a . 73.24 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.052 2 C1'-O4'-C4' 116.95 8.167 . 0.671 1a . 73.44 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 91.675 -9.875 . 0.0 OUTLIER . 73.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 1 O4'-C4'-C3' 90.776 -10.517 . 0.0 OUTLIER . 74.32 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 91.974 -9.661 . 0.021 9a . 74.33 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 O4'-C4'-C3' 92.582 -9.227 . 0.12 1L . 75.22 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.058 2 C1'-O4'-C4' 116.727 7.919 . 0.305 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 117.039 8.266 . 0.799 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 93.489 -8.58 . 0.499 1a . 71.2 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.066 2 O4'-C4'-C3' 94.039 -8.186 . 0.0 OUTLIER gamma 74.21 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 93.883 -8.298 . 0.0 OUTLIER . 75.33 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 C1'-O4'-C4' 116.874 8.083 . 0.683 1a . 75.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 92.785 -9.082 . 0.791 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 O4'-C4'-C3' 92.621 -9.199 . 0.764 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 93.039 -8.901 . 0.615 1a . 71.43 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 C1'-O4'-C4' 117.21 8.455 . 0.018 1L . 75.13 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 1 O4'-C4'-C3' 91.191 -10.22 . 0.0 OUTLIER '7D dist 1c' 70.31 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.032 1 O4'-C4'-C3' 90.969 -10.38 . 0.0 OUTLIER . 73.5 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 1 O4'-C4'-C3' 90.698 -10.573 . 0.0 OUTLIER . 73.22 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.748 7.942 . 0.0 OUTLIER . 65.13 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.777 7.975 . 0.0 OUTLIER gamma 75.15 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.78 7.978 . 0.0 OUTLIER . 74.12 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 C1'-O4'-C4' 116.749 7.944 . 0.496 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.812 2 C1'-O4'-C4' 117.187 8.43 . 0.103 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.856 2 C1'-O4'-C4' 116.801 8.001 . 0.809 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.97 8.188 . 0.861 1a . 73.45 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.788 7.986 . 0.634 1a . 74.51 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.079 2 C1'-O4'-C4' 116.795 7.994 . 0.694 1a . 73.43 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 C1'-O4'-C4' 116.955 8.172 . 0.569 1a . 72.45 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 93.456 -8.603 . 0.677 1a . 73.32 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.86 8.067 . 0.586 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 3 O4'-C4'-C3' 91.802 -9.784 . 0.0 OUTLIER alpha 75.02 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 1 O4'-C4'-C3' 90.922 -10.413 . 0.0 OUTLIER . 72.13 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 3 C1'-O4'-C4' 116.925 8.138 . 0.0 OUTLIER . 74.24 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.197 8.441 . 0.0 OUTLIER '7D dist 5d' 74.23 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 90.844 -10.469 . 0.0 OUTLIER . 72.22 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 92.246 -9.467 . 0.65 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 94.136 -8.117 . 0.214 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.883 8.092 . 0.568 1a . 74.04 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.815 2 C1'-O4'-C4' 117.286 8.54 . 0.156 1L . 75.21 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.829 8.032 . 0.0 OUTLIER zeta-1 75.03 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 117.281 8.534 . 0.0 OUTLIER . 74.31 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.864 3 C1'-O4'-C4' 116.924 8.138 . 0.0 OUTLIER . 75.21 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 116.849 8.054 . 0.46 1L . 73.42 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 O4'-C4'-C3' 94.162 -8.099 . 0.491 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.813 8.014 . 0.798 1a . 74.33 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 116.806 8.007 . 0.046 1a . 74.11 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.844 8.049 . 0.612 1a . 75.13 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.804 8.005 . 0.0 OUTLIER zeta-1 75.52 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 O4'-C4'-C3' 94.075 -8.161 . 0.529 1a . 74.11 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 117.185 8.428 . 0.177 1L . 72.43 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 C1'-O4'-C4' 117.269 8.521 . 0.0 OUTLIER gamma 74.44 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.433 " H4'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.197 2 O4'-C4'-C3' 91.994 -9.647 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.41 . . . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.433 ' OP1' " H4'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.39 -5.281 2 C1'-O4'-C4' 118.051 9.39 . 0.0 OUTLIER epsilon-1 74.41 . . . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 1 O4'-C4'-C3' 91.227 -10.195 . 0.0 OUTLIER gamma 75.31 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.568 7.742 . 0.087 1a . 72.41 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.246 8.496 . 0.232 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . 0.667 " H4'" " O5'" ' B' ' 224' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.458 2 C1'-O4'-C4' 117.798 9.109 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 74.33 . . . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . 0.667 " O5'" " H4'" ' B' ' 223' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.962 2 O4'-C4'-C3' 91.688 -9.865 . 0.0 OUTLIER epsilon-1 74.11 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.303 8.559 . 0.023 1L . 75.22 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.728 7.92 . 0.226 1a . 73.43 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.794 7.993 . 0.044 1m . 73.05 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.982 8.203 . 0.641 1a . 75.22 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 C1'-O4'-C4' 116.822 8.024 . 0.79 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.839 8.043 . 0.773 1a . 75.24 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.781 7.979 . 0.838 1a . 75.51 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 94.067 -8.167 . 0.844 1a . 74.33 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.175 8.416 . 0.753 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 C1'-O4'-C4' 116.811 8.012 . 0.778 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.498 -0.241 . . . . 65.34 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.15 141.44 28.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 74.42 110.823 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.59 1.72 5.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 73.21 111.106 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.29 126.24 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.846 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.33 -31.99 5.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.658 -0.782 . . . . 74.45 112.47 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.41 123.86 51.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 119.291 -0.385 . . . . 71.34 110.975 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -70.96 150.57 45.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 63.53 108.275 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.421 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 3.1 t80 -116.27 -24.36 7.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.011 -0.995 . . . . 72.21 110.904 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.6 m -64.91 -43.0 94.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 72.1 111.164 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.41 -38.33 4.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 72.15 108.32 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.17 34.43 3.96 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 114.988 -1.006 . . . . 71.43 112.473 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -100.44 119.75 58.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 72.42 110.947 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 96.23 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.272 . . . . 62.03 112.295 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.51 -65.58 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 75.4 112.464 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -94.85 -172.99 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.705 0.288 . . . . 75.02 110.916 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.41 178.07 7.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 75.41 110.91 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -49.88 -43.22 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.915 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.67 64.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 62.04 111.091 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -118.16 28.42 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.33 110.934 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 t -84.36 124.23 74.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.801 1.286 . . . . 74.43 108.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -12.54 33.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 75.34 112.309 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -98.24 0.66 46.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.947 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 168.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 65.41 110.895 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -170.55 165.38 8.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 72.21 110.859 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.91 -170.14 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.91 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.46 -74.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 75.25 110.955 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.0 -164.69 22.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 73.44 112.479 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -141.97 -49.49 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 74.33 110.903 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.21 105.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 73.03 110.899 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.84 164.53 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 64.44 110.867 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -55.07 -28.13 50.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 73.1 110.824 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -100.43 168.27 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.814 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -118.66 118.36 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 63.33 108.223 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.19 31.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.943 -1.026 . . . . 72.43 110.888 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.99 -35.33 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 74.24 110.915 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.0 p -131.36 14.66 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 64.41 108.295 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.05 21.0 8.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.018 -0.992 . . . . 75.21 110.856 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.19 159.17 41.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.728 . . . . 73.44 112.493 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.9 tpp -124.34 95.86 4.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 73.22 110.96 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.09 -58.42 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 71.23 112.486 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -86.41 -173.0 4.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 54.22 110.848 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -121.09 153.26 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 72.4 110.873 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.6 -44.53 73.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 72.13 111.145 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -23.79 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.88 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.548 ' NE2' HH12 ' A' ' 61' ' ' ARG . 0.1 OUTLIER -116.05 19.24 15.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 72.15 110.919 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.7 t -86.91 125.84 34.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 71.4 108.297 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.548 HH12 ' NE2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -87.49 139.08 30.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.05 -0.977 . . . . 73.52 110.808 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -71.96 178.85 3.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.86 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -77.71 86.01 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.855 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.869 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 93.82 -8.343 . 0.0 '__' . 74.12 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 93.793 -8.362 . 0.671 1a . 75.03 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 116.746 7.94 . 0.719 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 O4'-C4'-C3' 93.873 -8.305 . 0.794 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.953 8.17 . 0.614 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 116.87 8.077 . 0.375 1a . 73.45 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 117.232 8.48 . 0.268 1L . 74.04 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 117.018 8.243 . 0.231 1L . 75.21 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 0 C1'-O4'-C4' 113.117 3.908 . 0.0 OUTLIER '7D dist 1f' 75.31 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 92.738 -9.116 . 0.0 OUTLIER zeta-1 74.12 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 117.11 8.344 . 0.17 3a . 74.41 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 93.34 -8.686 . 0.205 1m . 75.14 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.779 7.977 . 0.313 1a . 75.01 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.959 8.176 . 0.568 1a . 73.42 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.068 3 O4'-C4'-C3' 93.483 -8.584 . 0.623 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 91.107 -10.281 . 0.0 OUTLIER . 75.31 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 117.006 8.229 . 0.0 OUTLIER . 74.45 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 3 C1'-O4'-C4' 116.856 8.062 . 0.458 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 94.005 -8.211 . 0.503 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 117.159 8.399 . 0.372 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.318 -8.701 . 0.618 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.261 8.513 . 0.01 1L . 73.54 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.857 2 O4'-C4'-C3' 91.878 -9.73 . 0.0 OUTLIER . 73.32 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 C1'-O4'-C4' 117.148 8.386 . 0.0 OUTLIER . 74.54 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 1 C1'-O4'-C4' 104.391 -5.788 OUTLIER-DELTA 0.0 OUTLIER . 74.51 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 3 C1'-O4'-C4' 116.793 7.992 . 0.0 OUTLIER . 74.12 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.77 7.967 . 0.0 OUTLIER . 75.31 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 116.787 7.986 . 0.0 OUTLIER gamma 74.32 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 116.802 8.003 . 0.493 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 O4'-C4'-C3' 93.064 -8.883 . 0.949 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 116.898 8.109 . 0.471 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 117.178 8.42 . 0.234 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 116.779 7.977 . 0.344 1a . 75.04 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.741 7.934 . 0.29 1a . 73.51 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 C1'-O4'-C4' 117.205 8.451 . 0.01 1m . 75.32 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 117.037 8.263 . 0.267 1a . 72.32 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.738 7.932 . 0.022 1a . 63.42 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.921 8.134 . 0.0 OUTLIER gamma 72.44 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 1 O4'-C4'-C3' 90.078 -11.016 . 0.0 OUTLIER gamma 75.42 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 O4'-C4'-C3' 93.015 -8.918 . 0.0 OUTLIER . 74.31 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 3 O4'-C4'-C3' 93.393 -8.648 OUTLIER-DELTA 0.01 3g . 74.04 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 92.408 -9.351 . 0.043 5n . 75.13 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 92.973 -8.948 . 0.539 1a . 74.33 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.943 8.159 . 0.01 1a . 73.31 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 116.846 8.051 . 0.56 1a . 73.24 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.833 2 C1'-O4'-C4' 117.348 8.609 . 0.132 1L . 72.44 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.846 8.051 . 0.0 OUTLIER zeta-1 72.42 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 117.299 8.554 . 0.0 OUTLIER . 73.32 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 3 C1'-O4'-C4' 116.945 8.161 . 0.0 OUTLIER . 75.02 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.746 7.94 . 0.461 1L . 75.21 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 O4'-C4'-C3' 93.945 -8.254 . 0.475 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 116.712 7.903 . 0.755 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.744 7.938 . 0.01 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 O4'-C4'-C3' 94.098 -8.144 . 0.754 1a . 73.44 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 C1'-O4'-C4' 117.219 8.465 . 0.0 OUTLIER . 72.42 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 116.85 8.056 . 0.0 OUTLIER . 65.44 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.265 8.516 . 0.151 1L . 74.44 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 116.787 7.985 . 0.0 OUTLIER gamma 75.24 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.483 " H4'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.238 2 O4'-C4'-C3' 91.39 -10.078 OUTLIER-EPSILON 0.0 OUTLIER . 74.25 . . . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.483 ' OP1' " H4'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.322 -10.921 1 C5'-C4'-O4' 120.888 8.348 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 75.45 . . . . . . . . . . 5 4 . 1 . 018 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 1 O4'-C4'-C3' 89.648 -11.323 . 0.0 OUTLIER delta-1 74.31 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.917 8.13 . 0.056 1L . 75.31 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 117.269 8.521 . 0.0 OUTLIER gamma 75.42 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.493 3 C1'-O4'-C4' 117.645 8.939 . 0.075 1a . 72.03 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 94.054 -8.176 . 0.0 OUTLIER . 74.42 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.875 2 C1'-O4'-C4' 117.11 8.344 . 0.01 1L . 73.31 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.738 7.931 . 0.801 1L . 75.35 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.811 8.013 . 0.015 1L . 74.51 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 93.132 -8.835 . 0.157 1a . 72.23 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.859 8.065 . 0.109 1a . 75.21 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.827 8.03 . 0.271 1a . 74.2 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 116.747 7.941 . 0.405 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 93.854 -8.318 . 0.823 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 C1'-O4'-C4' 117.078 8.309 . 0.375 1a . 75.45 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.826 8.029 . 0.34 1a . 74.55 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.536 -0.226 . . . . 73.21 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.65 151.43 37.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 73.22 110.942 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.73 21.15 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 71.1 111.128 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.82 133.34 37.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 75.35 110.875 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.98 -22.8 37.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 72.41 112.525 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.34 122.73 46.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 119.252 -0.404 . . . . 72.11 110.958 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -72.16 149.73 44.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 72.22 108.277 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -115.11 -23.29 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.999 -1.0 . . . . 71.13 110.935 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -66.54 -43.56 84.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 72.33 111.145 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -111.77 -38.28 4.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 53.12 108.201 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.64 34.89 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.063 -0.972 . . . . 64.41 112.444 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -101.89 115.19 65.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.739 . . . . 65.33 110.868 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 91.3 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 73.11 112.37 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.91 -42.84 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 74.54 112.51 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -120.94 -176.04 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 74.41 110.81 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.91 175.98 8.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 72.3 110.954 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -52.93 -39.17 62.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.951 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.65 -18.72 55.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.095 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -130.1 24.04 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 73.13 110.956 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.9 t -78.07 124.31 86.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 122.786 1.279 . . . . 64.52 108.283 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -11.91 31.73 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.746 2.297 . . . . 73.31 112.317 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.52 0.13 44.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.887 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -86.13 -25.72 25.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.872 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.26 145.79 39.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 73.4 110.86 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.0 163.86 39.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.878 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.8 p -163.34 79.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 72.34 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.09 53.35 0.59 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 74.35 112.433 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -178.93 141.11 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.892 0.377 . . . . 74.41 110.874 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.36 115.08 26.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 73.3 110.834 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -138.68 59.77 1.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.495 . . . . 74.01 110.823 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 56.48 27.11 11.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.04 110.865 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -102.45 172.6 6.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 71.32 110.872 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.7 t -123.33 117.39 25.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 73.34 108.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 28.87 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.987 -1.006 . . . . 74.05 110.955 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.04 -36.19 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 72.12 110.907 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.82 14.38 5.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 72.33 108.319 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m120 59.44 20.86 9.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.99 -1.005 . . . . 61.43 110.916 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.96 158.18 47.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.732 . . . . 71.01 112.5 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.7 mtm -124.42 98.32 5.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 75.15 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.22 -57.32 0.51 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 62.21 112.494 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -87.35 -173.42 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 73.23 110.861 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -118.99 151.79 37.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 73.31 110.859 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.37 -37.63 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 64.03 111.101 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -61.83 -22.49 65.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 72.01 110.91 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -117.28 16.75 14.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 71.31 110.925 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t -86.77 138.27 31.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 52.51 108.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 54.75 27.51 8.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.0 -1.0 . . . . 74.42 110.887 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -136.12 156.01 49.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 70.4 110.923 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -111.96 -53.74 2.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.296 -0.411 . . . . 73.52 110.938 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.856 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.058 2 O4'-C4'-C3' 93.754 -8.39 . 0.0 '__' . 75.23 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 117.185 8.427 . 0.605 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.76 7.955 . 0.662 1a . 74.11 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 116.86 8.067 . 0.705 1a . 73.14 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 O4'-C4'-C3' 94.004 -8.211 . 0.774 1a . 73.1 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 O4'-C4'-C3' 93.139 -8.829 . 0.749 1a . 74.02 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.079 2 O4'-C4'-C3' 94.108 -8.137 . 0.542 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 94.208 -8.066 . 0.778 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.789 -9.079 . 0.041 1g . 71.43 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 117.118 8.353 . 0.0 OUTLIER . 75.35 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 93.78 -8.372 . 0.37 9a . 75.32 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 116.86 8.067 . 0.756 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.776 7.973 . 0.718 1a . 71.23 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.968 8.186 . 0.853 1a . 73.1 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 93.1 -8.857 . 0.742 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 94.036 -8.188 . 0.0 OUTLIER . 72.22 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 O4'-C4'-C3' 94.053 -8.177 . 0.0 OUTLIER . 75.4 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.792 7.992 . 0.378 1a . 75.21 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 O4'-C4'-C3' 93.584 -8.512 . 0.838 1a . 64.31 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 117.143 8.381 . 0.418 1a . 75.4 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 3 O4'-C4'-C3' 93.186 -8.796 . 0.66 1a . 72.24 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.056 2 C1'-O4'-C4' 117.201 8.445 . 0.049 1L . 75.14 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.811 8.012 . 0.0 OUTLIER . 74.44 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.928 8.142 . 0.0 OUTLIER gamma 72.15 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.076 2 C1'-O4'-C4' 117.161 8.401 . 0.045 1f . 75.4 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.819 8.021 . 0.0 OUTLIER . 73.14 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.793 7.992 . 0.01 1g . 74.24 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.876 8.085 . 0.0 OUTLIER . 75.35 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.831 8.034 . 0.455 1a . 71.12 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 116.87 8.078 . 0.177 1a . 65.34 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 116.745 7.939 . 0.855 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.052 2 O4'-C4'-C3' 93.972 -8.234 . 0.652 1a . 72.54 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 116.817 8.019 . 0.561 1a . 73.41 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.75 7.945 . 0.558 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.85 8.056 . 0.666 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 93.603 -8.498 . 0.746 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.845 2 C1'-O4'-C4' 116.762 7.958 . 0.653 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 O4'-C4'-C3' 91.491 -10.007 . 0.257 1f . 75.04 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.046 1 C1'-O4'-C4' 103.935 -6.294 OUTLIER-DELTA 0.0 OUTLIER gamma 73.31 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.943 8.158 . 0.0 OUTLIER '7D dist 5d' 72.42 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.043 2 C1'-O4'-C4' 117.234 8.483 . 0.0 OUTLIER '7D dist 3g wannabe' 74.03 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 92.287 -9.438 . 0.0 OUTLIER . 74.14 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.856 2 O4'-C4'-C3' 92.614 -9.204 . 0.709 1a . 72.11 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 94.25 -8.035 . 0.354 1a . 74.15 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 C1'-O4'-C4' 116.929 8.144 . 0.497 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.26 8.511 . 0.186 1L . 74.21 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 3 C1'-O4'-C4' 116.836 8.04 . 0.0 OUTLIER zeta-1 74.41 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.228 8.476 . 0.0 OUTLIER . 72.41 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 3 C1'-O4'-C4' 116.991 8.212 . 0.0 OUTLIER . 74.23 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 116.776 7.973 . 0.461 1L . 75.54 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.178 8.421 . 0.46 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 116.753 7.948 . 0.843 1a . 74.51 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 116.753 7.947 . 0.584 1a . 74.01 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.827 8.03 . 0.46 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 116.795 7.994 . 0.0 OUTLIER zeta-1 75.14 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.798 7.998 . 0.492 1a . 74.01 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 C1'-O4'-C4' 117.226 8.473 . 0.23 1L . 74.52 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 O4'-C4'-C3' 94.174 -8.09 . 0.47 1a . 75.51 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.438 " H4'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.183 2 O4'-C4'-C3' 92.22 -9.486 OUTLIER-EPSILON 0.0 OUTLIER gamma 73.32 . . . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.438 ' OP1' " H4'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.389 -5.321 2 C1'-O4'-C4' 118.092 9.435 . 0.0 OUTLIER epsilon-1 74.53 . . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 1 O4'-C4'-C3' 91.015 -10.346 . 0.0 OUTLIER gamma 74.23 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.513 7.681 . 0.047 1a . 72.41 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.83 2 C1'-O4'-C4' 117.184 8.427 . 0.107 1a . 75.3 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . 0.672 " H4'" " O5'" ' B' ' 224' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.452 2 C1'-O4'-C4' 117.838 9.153 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 75.02 . . . . . . . . . . 5 4 . 1 . 019 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . 0.672 " O5'" " H4'" ' B' ' 223' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 91.771 -9.806 . 0.0 OUTLIER epsilon-1 74.42 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 117.26 8.511 . 0.018 1L . 73.54 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.79 7.989 . 0.268 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.797 7.996 . 0.0 OUTLIER . 74.52 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.902 8.113 . 0.788 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.816 8.017 . 0.722 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.767 7.963 . 0.562 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.84 8.044 . 0.501 1a . 73.24 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 O4'-C4'-C3' 94.056 -8.174 . 0.71 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 117.072 8.302 . 0.644 1a . 74.51 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 116.804 8.005 . 0.679 1a . 74.13 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.467 -0.253 . . . . 62.41 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.49 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 73.04 110.803 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.43 15.9 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 73.33 111.111 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 131.13 45.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 73.34 110.839 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.55 -22.47 40.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 74.25 112.481 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.01 118.94 37.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 119.326 -0.368 . . . . 74.44 110.896 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.3 t -66.84 150.43 49.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 74.14 108.311 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -115.69 -23.96 8.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.012 -0.995 . . . . 73.44 110.863 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.8 m -65.99 -43.49 87.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.099 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.64 -37.99 5.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 73.14 108.265 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.19 35.16 4.0 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.017 -0.992 . . . . 71.31 112.47 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -100.16 118.36 61.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.585 0.707 . . . . 74.2 110.906 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 91.26 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.676 2.25 . . . . 75.23 112.365 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.24 -63.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 75.24 112.467 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -96.67 -174.32 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 74.33 110.884 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.68 175.34 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 73.34 110.885 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -51.5 -43.94 62.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.847 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.62 50.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 63.02 111.088 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.32 28.87 5.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 74.53 110.947 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.9 t -79.86 120.91 81.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.768 1.271 . . . . 73.22 108.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -13.83 35.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.259 . . . . 71.31 112.349 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.18 0.33 48.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 74.35 110.941 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.98 102.28 5.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 74.52 110.877 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 58.93 82.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.877 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.79 115.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.891 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.74 -59.89 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 75.45 110.878 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.74 117.54 4.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 73.23 112.547 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -147.19 -43.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.38 . . . . 74.12 110.875 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 t -113.85 177.25 4.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.01 110.843 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -120.21 39.89 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.875 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -116.49 26.83 9.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 74.05 110.876 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -102.88 173.1 6.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 62.25 110.895 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.2 t -123.96 117.19 24.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 73.32 108.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.06 28.21 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.982 -1.008 . . . . 75.3 110.917 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.25 -36.4 2.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.933 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.56 14.43 6.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 64.12 108.283 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.46 20.79 9.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.004 -0.998 . . . . 74.21 110.9 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.2 157.86 48.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 71.5 112.449 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mtp -124.33 98.7 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 73.25 110.947 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.17 -56.57 0.52 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 52.4 112.501 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -88.27 -173.51 4.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 71.54 110.805 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -118.43 151.89 36.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 71.04 110.929 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.26 -35.23 71.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 72.52 111.101 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -21.99 65.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 75.22 110.904 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.36 15.72 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.903 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.5 t -91.67 138.05 31.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 64.34 108.267 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 54.92 32.91 18.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.999 -1.0 . . . . 75.32 110.822 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -139.65 -46.04 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.89 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 61.87 28.45 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.848 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.861 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 92.771 -9.092 . 0.0 '__' . 73.13 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.87 8.077 . 0.714 1a . 74.54 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.812 8.013 . 0.668 1a . 74.33 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 O4'-C4'-C3' 94.074 -8.161 . 0.737 1a . 73.11 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 93.848 -8.323 . 0.771 1a . 74.51 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.062 2 O4'-C4'-C3' 93.723 -8.412 . 0.776 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 116.978 8.198 . 0.833 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 91.831 -9.764 . 0.8 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 1 O4'-C4'-C3' 90.859 -10.458 . 0.0 OUTLIER . 75.53 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 1 O4'-C4'-C3' 90.358 -10.816 . 0.0 OUTLIER gamma 74.24 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 92.457 -9.317 . 0.371 9a . 71.03 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.843 2 O4'-C4'-C3' 91.749 -9.822 . 0.0 OUTLIER '7D dist 1L' 73.11 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 116.788 7.987 . 0.01 1a . 74.04 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.831 2 C1'-O4'-C4' 116.941 8.156 . 0.761 1a . 73.3 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 93.038 -8.901 . 0.754 1a . 74.51 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 90.278 -10.873 . 0.0 OUTLIER . 74.24 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 3 O4'-C4'-C3' 93.511 -8.564 . 0.0 OUTLIER . 75.15 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 116.756 7.951 . 0.178 1a . 73.31 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 O4'-C4'-C3' 93.018 -8.916 . 0.797 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.077 2 O4'-C4'-C3' 93.266 -8.738 . 0.702 1a . 74.51 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.077 2 O4'-C4'-C3' 93.037 -8.902 . 0.659 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 117.19 8.434 . 0.023 1L . 74.3 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 1 O4'-C4'-C3' 90.967 -10.381 . 0.0 OUTLIER . 74.33 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 O4'-C4'-C3' 90.452 -10.748 . 0.05 1f . 75.21 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 1 O4'-C4'-C3' 91.012 -10.349 . 0.0 OUTLIER '7D dist 1c' 75.31 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.741 7.934 . 0.0 OUTLIER gamma 74.54 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.809 8.01 . 0.01 5j . 73.33 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 3 C1'-O4'-C4' 116.823 8.026 . 0.0 OUTLIER . 74.24 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.744 7.937 . 0.384 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 117.16 8.4 . 0.053 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.774 7.971 . 0.807 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 116.971 8.19 . 0.745 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.86 2 C1'-O4'-C4' 116.8 8.0 . 0.66 1a . 72.44 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.848 2 C1'-O4'-C4' 116.779 7.977 . 0.617 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 117.017 8.241 . 0.627 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 92.821 -9.057 . 0.777 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 C1'-O4'-C4' 116.742 7.936 . 0.497 1a . 75.51 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 O4'-C4'-C3' 93.836 -8.332 . 0.013 1f . 75.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 92.123 -9.555 . 0.0 OUTLIER . 75.22 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.91 8.122 . 0.069 5d . 75.15 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 116.33 7.478 . 0.0 OUTLIER gamma 73.51 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 90.494 -10.718 . 0.339 1e . 73.43 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 91.705 -9.854 . 0.514 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.018 2 O4'-C4'-C3' 92.831 -9.049 . 0.414 1a . 70.23 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 C1'-O4'-C4' 116.915 8.128 . 0.243 1a . 72.11 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.273 8.525 . 0.199 1L . 71.52 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 3 C1'-O4'-C4' 116.874 8.082 . 0.0 OUTLIER zeta-1 73.03 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 117.291 8.546 . 0.0 OUTLIER '7D dist &a' 74.53 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 3 C1'-O4'-C4' 117.016 8.24 . 0.0 OUTLIER . 73.13 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.77 7.967 . 0.458 1L . 75.44 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 117.232 8.48 . 0.469 1a . 73.34 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.87 2 C1'-O4'-C4' 116.83 8.033 . 0.609 1a . 75.01 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.864 8.071 . 0.549 1a . 72.33 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.775 7.972 . 0.605 1a . 71.51 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.839 8.043 . 0.0 OUTLIER zeta-1 75.14 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 94.012 -8.206 . 0.496 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 O4'-C4'-C3' 94.128 -8.123 . 0.329 1L . 74.24 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.806 2 O4'-C4'-C3' 94.17 -8.093 . 0.42 1a . 73.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 218' ' ' ' G' . . . . . 0.443 " H4'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.161 2 O4'-C4'-C3' 91.868 -9.737 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.42 . . . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.443 ' OP1' " H4'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.39 -5.281 2 C1'-O4'-C4' 118.057 9.397 . 0.0 OUTLIER epsilon-1 74.22 . . . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 1 O4'-C4'-C3' 91.214 -10.204 . 0.0 OUTLIER gamma 73.03 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.397 7.553 . 0.053 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 C1'-O4'-C4' 117.201 8.445 . 0.154 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 223' ' ' ' U' . . . . . 0.666 " H4'" " O5'" ' B' ' 224' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.399 -4.516 2 C1'-O4'-C4' 117.714 9.016 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 73.41 . . . . . . . . . . 5 4 . 1 . 020 nuclear orig full ' B' B ' 224' ' ' ' U' . . . . . 0.666 " O5'" " H4'" ' B' ' 223' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.026 2 O4'-C4'-C3' 91.702 -9.855 . 0.0 OUTLIER epsilon-1 74.21 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.071 2 C1'-O4'-C4' 117.167 8.408 . 0.03 1L . 74.43 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.782 7.98 . 0.243 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.842 8.047 . 0.0 OUTLIER . 75.44 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 O4'-C4'-C3' 93.136 -8.831 . 0.785 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.773 7.97 . 0.715 1a . 73.41 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.75 7.945 . 0.598 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.76 7.956 . 0.589 1a . 70.51 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.935 8.15 . 0.625 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 94.106 -8.138 . 0.729 1a . 73.34 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 116.794 7.993 . 0.687 1a . 75.22 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.813 0.339 . . . . 55.420000000000002 111.145 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 129.59 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 74.540000000000006 110.843 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.78 -25.45 16.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 75.219999999999999 112.563 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -112.85 116.38 29.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 119.341 -0.361 . . . . 75.25 110.902 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 t -68.32 147.02 52.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 73.150000000000006 108.317 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -111.86 -24.15 10.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.01 -0.996 . . . . 74.150000000000006 110.903 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -65.89 -41.35 91.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 70.239999999999995 111.091 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -113.07 -39.4 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 71.209999999999994 108.307 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.07 36.14 3.48 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.055 -0.975 . . . . 72.109999999999999 112.451 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.48 129.6 24.37 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.679 0.752 . . . . 63.439999999999998 110.858 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.82 167.25 25.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 45.350000000000001 112.324 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.73 -27.21 20.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 64.120000000000005 112.466 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -145.11 174.81 10.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 74.519999999999996 110.871 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.3 178.55 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 62.350000000000001 110.917 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -49.53 -43.25 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 72.519999999999996 110.9 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.55 -30.57 63.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 45.32 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -120.0 31.02 6.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 73.120000000000005 110.922 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 t -78.02 124.91 86.0 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 122.762 1.268 . . . . 71.140000000000001 108.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -13.1 34.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 33.420000000000002 112.35 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -97.39 0.26 47.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 72.150000000000006 110.901 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 61.409999999999997 110.898 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 119.318 -0.373 . . . . 71.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -123.85 117.5 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 55.420000000000002 108.303 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.0 29.63 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.982 -1.008 . . . . 54.439999999999998 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.776 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -126.97 -35.68 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 72.209999999999994 110.944 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.1 p -130.74 14.5 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 53.240000000000002 108.295 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 59.48 20.6 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.013 -0.994 . . . . 74.329999999999998 110.856 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.58 157.79 47.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 60.310000000000002 112.479 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 33.8 mtp -124.29 97.37 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 74.140000000000001 110.882 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.28 -57.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 75.400000000000006 112.521 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -87.27 -173.44 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 75.430000000000007 110.833 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -118.46 152.33 36.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 73.400000000000006 110.897 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.776 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -56.5 -40.09 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 60.119999999999997 111.076 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -22.0 65.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 71.25 110.88 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -117.35 18.85 14.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 54.539999999999999 110.964 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 72.200000000000003 108.307 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.808 0.337 . . . . 71.329999999999998 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.2 128.39 30.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 71.109999999999999 110.892 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.05 -28.03 14.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 74.209999999999994 112.433 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.67 124.51 46.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 119.359 -0.353 . . . . 61.130000000000003 110.884 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.4 t -75.23 150.55 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 42.409999999999997 108.284 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -115.5 -24.88 8.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.968 -1.015 . . . . 73.409999999999997 110.892 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -64.51 -43.2 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 75.420000000000002 111.131 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.94 -38.31 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 55.350000000000001 108.333 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 35.37 3.83 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 114.945 -1.025 . . . . 53.43 112.499 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -100.21 118.34 61.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.739 . . . . 60.299999999999997 110.899 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 91.16 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.732 2.288 . . . . 71.049999999999997 112.344 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.29 -62.2 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.69 -0.767 . . . . 65.299999999999997 112.464 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -98.42 -172.07 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.333 . . . . 73.230000000000004 110.896 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.39 177.98 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 63.310000000000002 110.889 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -51.21 -42.68 61.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 75.030000000000001 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.93 -25.77 61.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 64.129999999999995 111.031 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -123.22 27.95 7.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 63.009999999999998 110.993 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 t -83.94 124.05 75.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.726 1.25 . . . . 44.210000000000001 108.272 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -12.39 32.65 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.598 2.199 . . . . 55.009999999999998 112.353 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -98.17 0.19 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 72.349999999999994 110.916 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.010000000000005 110.873 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 119.327 -0.368 . . . . 74.129999999999995 110.813 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.5 t -119.38 117.57 28.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 64.319999999999993 108.313 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.67 31.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.039 -0.982 . . . . 73.430000000000007 110.906 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.68 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -128.71 -35.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 72.340000000000003 110.903 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.9 p -131.95 15.0 4.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 70.439999999999998 108.282 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.11 19.52 8.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.006 -0.997 . . . . 73.420000000000002 110.932 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.54 162.21 29.81 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.67 -0.776 . . . . 64.219999999999999 112.497 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.5 ttp -129.71 91.74 3.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 72.230000000000004 110.889 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.45 -55.4 0.46 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 53.409999999999997 112.461 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -88.4 -173.78 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 72.120000000000005 110.858 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.56 151.71 36.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 65.239999999999995 110.858 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.68 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -54.86 -43.08 72.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 65.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.76 -23.68 63.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 74.450000000000003 110.87 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.48 18.57 16.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 63.130000000000003 110.984 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.4 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 75.030000000000001 108.32 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.813 0.34 . . . . 73.129999999999995 111.146 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 135.36 28.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 43.039999999999999 110.868 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.52 -22.24 41.24 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.742 -0.742 . . . . 41.420000000000002 112.446 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.38 122.01 46.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 119.339 -0.363 . . . . 61.439999999999998 110.934 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.0 t -68.84 150.66 47.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 72.140000000000001 108.336 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -116.11 -23.94 8.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.015 -0.993 . . . . 71.120000000000005 110.88 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.3 m -65.87 -43.74 87.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 63.240000000000002 111.143 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 p -111.47 -38.08 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 74.430000000000007 108.276 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.11 35.35 3.97 Favored Glycine 0 N--CA 1.452 -0.243 0 CA-C-N 114.992 -1.004 . . . . 74.019999999999996 112.489 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -100.68 118.91 59.92 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.747 . . . . 63.43 110.912 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 93.98 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.743 2.296 . . . . 63.439999999999998 112.307 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.23 -64.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 63.32 112.507 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -96.0 -173.85 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 75.040000000000006 110.848 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.62 176.32 8.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.439 . . . . 62.439999999999998 110.995 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -51.45 -42.95 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 75.430000000000007 110.982 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.43 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 73.239999999999995 111.093 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -122.73 26.26 8.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 72.530000000000001 110.898 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -81.05 124.17 81.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 122.842 1.306 . . . . 74.400000000000006 108.283 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -12.05 32.17 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.625 2.216 . . . . 63.439999999999998 112.396 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.53 0.35 44.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 72.430000000000007 110.856 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.409999999999997 110.88 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 119.32 -0.371 . . . . 71.439999999999998 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.6 t -124.3 117.19 23.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 74.140000000000001 108.349 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.0 27.88 2.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.99 -1.005 . . . . 73.349999999999994 110.955 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.839 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -124.96 -36.19 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 74.120000000000005 110.959 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.8 14.48 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 41.130000000000003 108.285 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.43 20.71 9.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.035 -0.984 . . . . 71.140000000000001 110.892 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.19 157.59 49.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 65.129999999999995 112.447 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.2 mtp -124.09 98.5 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 74.409999999999997 110.889 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.4 -56.98 0.51 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.758 -0.734 . . . . 65.150000000000006 112.479 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -87.7 -173.65 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 71.030000000000001 110.873 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -118.34 151.46 37.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.310000000000002 110.907 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.839 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -58.13 -34.88 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 42.409999999999997 111.086 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -22.55 66.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 60.229999999999997 110.867 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -115.41 14.76 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 52.329999999999998 110.938 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 64.420000000000002 108.276 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.871 0.367 . . . . 74.340000000000003 111.154 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -51.12 134.88 26.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 73.329999999999998 110.839 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.0 -22.59 40.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.69 -0.767 . . . . 74.510000000000005 112.443 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.8 124.76 50.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 119.301 -0.381 . . . . 72.349999999999994 110.92 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.65 147.99 43.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 60.310000000000002 108.288 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -115.15 -22.56 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.003 -0.999 . . . . 54.219999999999999 110.916 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.2 m -67.52 -42.66 82.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 74.140000000000001 111.146 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.3 p -111.92 -36.72 5.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 64.409999999999997 108.325 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.99 34.69 4.5 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 114.992 -1.004 . . . . 43.219999999999999 112.49 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -105.12 115.32 62.47 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.661 0.743 . . . . 75.319999999999993 110.9 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 97.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.711 2.274 . . . . 71.409999999999997 112.328 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.13 -34.7 0.26 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 74.129999999999995 112.516 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -130.81 -173.72 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 72.349999999999994 110.894 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 177.77 7.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 73.239999999999995 110.881 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -51.29 -43.3 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 72.409999999999997 110.885 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.96 -25.54 63.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 74.010000000000005 111.061 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -121.15 26.59 8.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 74.340000000000003 110.891 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -80.96 124.25 81.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.786 1.279 . . . . 65.340000000000003 108.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -12.33 32.61 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.664 2.243 . . . . 53.109999999999999 112.29 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 0.51 44.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 74.409999999999997 110.895 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.934 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.1 ttt-85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 119.361 -0.352 . . . . 72.019999999999996 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.7 t -124.61 116.8 23.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 71.25 108.247 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -94.08 30.44 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.003 -0.999 . . . . 71.140000000000001 110.917 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.733 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -127.62 -35.35 2.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 61.240000000000002 110.906 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.0 p -131.97 15.25 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.384 1.053 . . . . 71.450000000000003 108.336 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m120 59.28 20.38 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.994 -1.003 . . . . 71.540000000000006 110.912 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.94 156.48 47.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 50.130000000000003 112.505 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.6 tpt -123.79 93.38 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 65.319999999999993 110.875 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.42 -57.39 0.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.822 -0.704 . . . . 42.229999999999997 112.5 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -86.89 -173.37 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 73.219999999999999 110.88 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -118.28 151.03 38.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 71.420000000000002 110.904 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.733 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.22 -44.37 75.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 74.519999999999996 111.098 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -58.55 -22.22 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 72.430000000000007 110.907 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -116.63 17.38 15.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.019999999999996 110.886 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 73.239999999999995 108.25 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.796 0.331 . . . . 35.100000000000001 111.101 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -56.41 128.4 35.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 71.439999999999998 110.864 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.4 -22.98 37.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.672 -0.775 . . . . 74.519999999999996 112.506 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.05 117.56 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 119.303 -0.379 . . . . 75.409999999999997 110.923 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 t -66.36 150.35 49.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 63.140000000000001 108.367 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -115.35 -23.92 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.083 -0.962 . . . . 75.040000000000006 110.962 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.4 ' HG1' ' CD ' ' A' ' 31' ' ' GLN . 17.0 m -65.86 -44.03 86.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 73.329999999999998 111.086 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 p -111.46 -37.98 5.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 73.400000000000006 108.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 34.87 4.02 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 114.976 -1.011 . . . . 73.439999999999998 112.504 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.43 118.1 62.81 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.644 0.735 . . . . 75.540000000000006 110.889 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 89.61 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.716 2.277 . . . . 72.329999999999998 112.302 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.96 -62.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 52.420000000000002 112.491 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -98.05 -174.25 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 75.209999999999994 110.819 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.37 175.82 8.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 74.109999999999999 110.913 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.4 ' CD ' ' HG1' ' A' ' 23' ' ' THR . 0.4 OUTLIER -51.27 -42.84 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 110.886 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.93 -24.68 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 111.055 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -122.01 25.88 8.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 74.420000000000002 110.858 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 t -81.23 124.14 81.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 122.798 1.285 . . . . 55.409999999999997 108.339 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -11.88 31.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 71.25 112.311 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.2 -0.03 44.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.040000000000006 110.872 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.26 -0.427 . . . . 73.299999999999997 110.876 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 119.315 -0.374 . . . . 72.219999999999999 110.83 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.6 t -124.76 117.06 23.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 60.140000000000001 108.281 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -94.93 28.54 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.982 -1.008 . . . . 61.439999999999998 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.822 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.5 -36.11 2.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 71.439999999999998 110.911 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.0 p -130.05 14.55 5.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 72.409999999999997 108.315 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.44 20.76 9.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.941 -1.027 . . . . 52.130000000000003 110.845 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.98 157.65 48.55 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 61.229999999999997 112.535 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -124.57 97.52 5.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.348 . . . . 62.43 110.872 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.53 -56.8 0.5 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 53.350000000000001 112.442 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -87.81 -173.62 4.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 74.349999999999994 110.851 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -117.79 151.49 37.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 110.916 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.822 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.72 -36.99 72.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 62.020000000000003 111.186 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -21.5 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 72.319999999999993 110.901 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.22 15.42 15.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 72.019999999999996 110.912 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.2 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 73.420000000000002 108.322 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.768 0.318 . . . . 41.420000000000002 111.133 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.54 88.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 62.210000000000001 110.891 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.72 -8.68 1.8 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.664 -0.779 . . . . 64.319999999999993 112.42 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.13 119.9 36.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 119.299 -0.381 . . . . 74.200000000000003 110.978 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.4 t -61.89 141.71 57.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 65.310000000000002 108.29 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -109.49 39.31 2.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.042 -0.981 . . . . 74.209999999999994 110.914 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 m -140.27 -48.11 0.44 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 64.099999999999994 111.118 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -110.38 -37.52 5.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 35.43 108.231 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 30.16 4.27 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.003 -0.999 . . . . 70.030000000000001 112.491 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -100.23 118.53 61.16 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.639 0.733 . . . . 73.340000000000003 110.887 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 98.41 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.711 2.274 . . . . 61.409999999999997 112.335 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.88 -67.61 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 63.130000000000003 112.47 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -92.15 171.45 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 71.140000000000001 110.874 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -114.01 174.01 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 71.540000000000006 110.907 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -51.93 -40.98 61.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 60.030000000000001 110.903 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.92 -23.41 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 51.43 111.094 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.97 18.48 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 63.340000000000003 110.921 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.35 124.13 90.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.808 1.29 . . . . 75.299999999999997 108.263 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -13.32 34.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.637 2.224 . . . . 73.329999999999998 112.336 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.47 0.14 47.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 53.009999999999998 110.894 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 75.150000000000006 110.907 179.856 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 119.376 -0.345 . . . . 65.129999999999995 110.87 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.9 t -124.66 117.14 23.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 74.510000000000005 108.343 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.79 28.61 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.039 -0.982 . . . . 44.119999999999997 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.804 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.78 -35.99 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 62.140000000000001 110.936 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.1 p -130.1 14.42 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 72.430000000000007 108.286 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.35 20.82 9.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.01 -0.996 . . . . 73.340000000000003 110.9 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.03 156.97 49.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 70.209999999999994 112.498 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.64 97.38 5.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 53.130000000000003 110.818 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.64 -57.92 0.48 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 75.430000000000007 112.511 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -86.6 -173.53 4.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.766 0.317 . . . . 75.409999999999997 110.834 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -118.29 151.46 37.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 73.510000000000005 110.894 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.804 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.9 -36.01 71.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 75.299999999999997 111.056 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -62.37 -22.17 65.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.409999999999997 110.89 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -115.86 15.37 16.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 63.229999999999997 110.863 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 72.049999999999997 108.315 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.706 0.289 . . . . 42.409999999999997 111.102 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.54 134.39 50.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 75.109999999999999 110.946 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.42 -22.33 40.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 71.519999999999996 112.501 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.89 144.76 25.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 119.299 -0.381 . . . . 73.319999999999993 110.948 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.3 t -99.47 152.35 20.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 73.420000000000002 108.297 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -110.84 -30.1 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.984 -1.007 . . . . 74.230000000000004 110.88 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.5 m -62.32 -47.4 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 70.219999999999999 111.087 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.1 p -106.7 -40.23 5.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 70.510000000000005 108.302 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.34 37.53 4.02 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.028 -0.987 . . . . 62.240000000000002 112.516 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.26 120.91 46.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 74.530000000000001 110.874 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 83.99 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.684 2.256 . . . . 74.400000000000006 112.38 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.37 -33.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 75.319999999999993 112.467 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -136.78 -178.38 5.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 74.219999999999999 110.914 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.46 165.07 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 110.865 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -51.51 -38.52 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 74.099999999999994 110.925 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.49 50.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 53.109999999999999 111.105 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -127.43 31.49 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 53.25 110.919 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.7 t -73.6 126.23 89.94 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 122.851 1.31 . . . . 62.119999999999997 108.304 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -11.94 31.93 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 73.319999999999993 112.36 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.62 -0.57 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.010000000000005 110.886 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 71.329999999999998 110.882 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 119.289 -0.386 . . . . 73.400000000000006 110.821 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t -123.68 117.38 24.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 70.340000000000003 108.364 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.07 29.17 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.012 -0.995 . . . . 61.109999999999999 110.939 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.815 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -126.59 -35.93 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 110.861 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.8 p -130.35 14.35 5.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.62 1.2 . . . . 62.409999999999997 108.345 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 59.34 20.92 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.997 -1.001 . . . . 55.450000000000003 110.848 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.32 158.08 48.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 44.200000000000003 112.49 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -124.57 98.72 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 74.209999999999994 110.84 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.25 -57.82 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 74.129999999999995 112.453 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -86.42 -173.52 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 73.040000000000006 110.862 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -118.53 150.73 39.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 72.310000000000002 110.873 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.815 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.98 -39.94 72.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 70.329999999999998 111.149 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -61.7 -23.24 65.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 65.239999999999995 110.875 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.66 17.08 15.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 63.009999999999998 110.852 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.7 t . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 74.340000000000003 108.284 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.855 0.36 . . . . 72.400000000000006 111.125 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -64.56 87.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 75.430000000000007 110.878 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.92 -18.28 0.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 64.219999999999999 112.432 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.85 112.56 24.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 119.348 -0.358 . . . . 64.329999999999998 110.826 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -55.26 138.76 44.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 64.129999999999995 108.341 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -106.26 39.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.029 -0.987 . . . . 74.129999999999995 110.88 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.0 m -139.87 -48.64 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.319999999999993 111.147 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -110.47 -37.36 5.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 53.520000000000003 108.319 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.72 31.04 4.07 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.021 -0.99 . . . . 44.109999999999999 112.43 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -98.85 118.49 62.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.687 0.756 . . . . 64.109999999999999 110.814 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 91.92 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.624 2.216 . . . . 40.509999999999998 112.384 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 167.88 -70.04 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 64.140000000000001 112.499 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -88.78 172.16 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.309 . . . . 71.450000000000003 110.958 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.13 173.2 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 73.439999999999998 110.881 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -50.41 -41.91 52.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 74.319999999999993 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.84 -29.48 69.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 15.220000000000001 111.105 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -109.92 18.05 20.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 62.109999999999999 110.908 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.1 t -74.62 124.01 89.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.736 1.255 . . . . 73.230000000000004 108.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -12.73 33.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.71 2.273 . . . . 64.530000000000001 112.316 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -98.54 0.27 44.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 72.030000000000001 110.895 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.430000000000007 110.925 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 119.311 -0.376 . . . . 71.519999999999996 110.916 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -123.6 117.13 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 73.230000000000004 108.292 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.01 29.09 2.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.985 -1.007 . . . . 70.109999999999999 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.78 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -126.19 -35.79 2.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 72.319999999999993 110.901 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.6 p -130.29 14.24 5.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 62.219999999999999 108.344 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.91 20.38 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.99 -1.004 . . . . 63.549999999999997 110.883 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.53 159.29 45.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 75.420000000000002 112.442 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.9 mtp -126.49 96.82 4.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 74.239999999999995 110.845 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.29 -56.63 0.49 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 75.209999999999994 112.436 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -87.34 -174.16 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 71.099999999999994 110.873 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -117.71 148.14 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 64.200000000000003 110.904 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.78 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -53.22 -46.33 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 44.32 111.089 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -27.31 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 73.310000000000002 110.862 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -98.59 -17.63 18.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.549999999999997 110.852 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 74.319999999999993 108.33 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.832 0.348 . . . . 61.229999999999997 111.131 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.73 131.28 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.140000000000001 110.833 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.36 -28.9 10.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 34.329999999999998 112.494 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.1 120.12 41.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 119.308 -0.377 . . . . 70.040000000000006 110.96 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.8 t -68.18 150.22 48.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 54.5 108.266 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -114.7 -24.83 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.001 -0.999 . . . . 74.25 110.887 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.0 m -64.54 -44.22 91.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 72.219999999999999 111.115 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.7 p -112.74 -38.16 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 34.140000000000001 108.259 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.29 34.73 4.11 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.024 -0.989 . . . . 62.210000000000001 112.488 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 t -98.7 120.47 58.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.676 0.751 . . . . 73.450000000000003 110.905 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 92.03 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.669 2.246 . . . . 72.349999999999994 112.373 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.23 -68.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 71.109999999999999 112.474 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -91.47 -172.15 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.744 0.306 . . . . 73.340000000000003 110.861 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.99 177.09 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 65.200000000000003 110.856 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.5 -44.58 56.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 72.150000000000006 110.924 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.27 52.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 62.210000000000001 111.108 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -124.9 31.52 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.439999999999998 110.909 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.3 t -83.22 120.78 76.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.773 1.273 . . . . 74.140000000000001 108.351 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -14.28 35.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 72.409999999999997 112.373 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -96.3 0.32 50.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 73.109999999999999 110.925 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 62.140000000000001 110.916 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 119.309 -0.377 . . . . 73.510000000000005 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.9 t -125.05 116.83 22.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 75.219999999999999 108.24 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.88 28.77 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.997 -1.001 . . . . 75.010000000000005 110.904 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.829 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.64 -35.93 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.420000000000002 110.88 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.8 p -130.29 14.37 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 70.120000000000005 108.294 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 59.72 20.45 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.979 -1.009 . . . . 74.519999999999996 110.85 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.24 157.5 49.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 64.310000000000002 112.502 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.36 97.94 5.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 65.239999999999995 110.812 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.21 -57.9 0.49 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.778 -0.725 . . . . 43.420000000000002 112.564 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -86.12 -173.69 4.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.786 0.327 . . . . 71.049999999999997 110.855 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -117.42 150.39 38.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 72.120000000000005 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.829 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.54 -37.65 73.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 73.519999999999996 111.085 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -21.9 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 61.009999999999998 110.871 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -114.81 13.76 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 71.319999999999993 110.96 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 63.439999999999998 108.325 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.866 0.365 . . . . 75.129999999999995 111.111 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 130.28 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 110.923 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.74 -28.71 13.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 60.549999999999997 112.541 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.6 112.84 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 119.285 -0.388 . . . . 73.140000000000001 110.912 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 t -71.58 146.84 48.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 51.310000000000002 108.285 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -111.93 -24.7 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.038 -0.983 . . . . 73.310000000000002 110.901 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -65.59 -40.8 93.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 73.120000000000005 111.1 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.0 p -112.62 -39.0 4.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 61.130000000000003 108.279 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.42 38.34 3.29 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.035 -0.984 . . . . 63.25 112.507 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.83 129.56 23.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.733 0.778 . . . . 52.240000000000002 110.844 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 170.53 16.43 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.584 2.19 . . . . 71.540000000000006 112.34 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.37 -18.36 57.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 41.140000000000001 112.551 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -154.46 171.52 19.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 64.219999999999999 110.88 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.99 179.3 5.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.226 -0.443 . . . . 71.150000000000006 110.869 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.98 -43.52 40.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 75.209999999999994 110.87 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.19 -31.4 65.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 45.130000000000003 111.085 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -117.52 29.65 7.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 74.099999999999994 110.836 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 t -77.89 124.73 86.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.774 1.273 . . . . 54.539999999999999 108.344 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.79 -10.57 28.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 73.310000000000002 112.28 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -100.79 0.39 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.109999999999999 110.853 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 74.209999999999994 110.912 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 119.308 -0.377 . . . . 64.140000000000001 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -124.48 117.17 23.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 70.430000000000007 108.309 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -94.99 28.55 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.956 -1.02 . . . . 75.409999999999997 110.94 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.84 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.53 -36.19 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 70.209999999999994 110.955 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.0 p -129.93 14.53 5.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 41.009999999999998 108.269 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 59.41 20.67 9.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.003 -0.999 . . . . 75.430000000000007 110.886 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.04 157.49 48.85 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 62.439999999999998 112.47 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -124.07 97.87 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 61.100000000000001 110.891 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.0 -57.31 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 40.240000000000002 112.466 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -87.18 -173.57 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 45.140000000000001 110.888 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -118.31 151.22 38.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 74.310000000000002 110.937 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.84 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -58.09 -35.23 71.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 65.239999999999995 111.081 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -22.28 66.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 73.129999999999995 110.891 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -115.61 14.9 16.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 73.239999999999995 110.901 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 61.109999999999999 108.37 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.813 0.339 . . . . 75.329999999999998 111.139 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 128.52 24.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.430000000000007 110.94 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.61 -27.95 16.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.789 -0.72 . . . . 74.150000000000006 112.505 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.68 124.57 48.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 119.288 -0.387 . . . . 53.030000000000001 110.922 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.1 t -73.44 150.47 41.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 74.150000000000006 108.295 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -115.69 -24.22 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.002 -0.999 . . . . 73.200000000000003 110.891 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.3 m -65.22 -43.46 91.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 51.340000000000003 111.154 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -112.69 -38.07 4.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 72.450000000000003 108.249 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.6 35.03 3.92 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.075 -0.966 . . . . 75.329999999999998 112.472 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.58 119.57 59.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 75.299999999999997 110.848 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 92.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.757 2.304 . . . . 53.240000000000002 112.336 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.89 -67.1 0.2 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 41.439999999999998 112.514 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -92.83 -172.7 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 74.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.18 177.7 7.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 73.150000000000006 110.963 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -50.28 -43.14 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.040000000000006 110.881 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.26 -29.47 63.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 74.349999999999994 111.083 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -119.26 28.28 8.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 54.130000000000003 110.997 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.0 t -84.2 124.16 74.4 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 122.804 1.287 . . . . 61.149999999999999 108.278 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -12.52 33.05 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.672 2.248 . . . . 72.030000000000001 112.301 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.62 0.7 45.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 74.099999999999994 110.906 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.129999999999995 110.88 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 119.283 -0.389 . . . . 72.209999999999994 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -123.44 117.38 25.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 72.230000000000004 108.288 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.27 28.66 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.995 -1.002 . . . . 74.150000000000006 110.845 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.813 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.78 -36.1 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.319999999999993 110.929 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.94 14.47 5.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 72.030000000000001 108.362 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.39 20.68 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.966 -1.015 . . . . 75.010000000000005 110.912 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.77 158.47 47.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.784 -0.722 . . . . 64.25 112.542 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 ttt -125.06 97.93 5.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.894 0.378 . . . . 74.349999999999994 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.73 -57.46 0.5 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 72.400000000000006 112.514 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -86.83 -173.67 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 73.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -118.12 151.63 37.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.430000000000007 110.935 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.813 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.6 -37.11 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 51.509999999999998 111.021 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -62.17 -22.15 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 64.530000000000001 110.882 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -116.46 16.31 15.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 73.349999999999994 110.947 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 75.420000000000002 108.415 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.35 . . . . 75.310000000000002 111.111 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 135.0 28.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 71.120000000000005 110.815 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.09 -22.63 39.68 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 61.200000000000003 112.468 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.18 122.86 47.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.319 -0.372 . . . . 74.439999999999998 110.876 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.1 t -69.45 150.67 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 71.120000000000005 108.306 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -116.14 -23.82 8.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.022 -0.99 . . . . 75.219999999999999 110.879 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 m -66.07 -43.49 87.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.230000000000004 111.157 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.0 p -111.73 -37.97 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 73.120000000000005 108.276 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.02 35.27 4.02 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.026 -0.988 . . . . 73.120000000000005 112.462 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 t -100.59 119.07 59.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.646 0.736 . . . . 60.240000000000002 110.862 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 94.27 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 73.200000000000003 112.359 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.7 -65.7 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 70.340000000000003 112.51 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -94.41 -174.19 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 74.310000000000002 110.867 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.6 176.6 8.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 75.230000000000004 110.94 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -51.51 -42.84 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 51.399999999999999 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.25 61.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 61.420000000000002 111.077 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -122.93 26.22 8.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 71.230000000000004 110.903 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -81.11 124.14 81.3 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 122.775 1.274 . . . . 74.340000000000003 108.361 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -12.11 32.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.654 2.236 . . . . 53.030000000000001 112.326 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -98.75 0.58 44.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 74.439999999999998 110.891 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 75.430000000000007 110.927 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 119.204 -0.427 . . . . 54.119999999999997 110.958 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.8 t -118.46 118.26 31.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 74.510000000000005 108.349 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.23 31.43 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.016 -0.993 . . . . 63.5 110.928 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.75 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -129.27 -35.47 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.219999999999999 110.848 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 p -131.25 14.9 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 61.539999999999999 108.273 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.9 t30 59.17 20.65 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.981 -1.009 . . . . 71.430000000000007 110.932 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.83 160.21 38.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.786 -0.721 . . . . 72.219999999999999 112.487 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.01 95.32 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.331 . . . . 71.349999999999994 110.897 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.57 -57.93 0.48 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.723 -0.751 . . . . 74.310000000000002 112.449 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -86.41 -173.15 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 73.230000000000004 110.863 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -120.02 153.19 36.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 74.510000000000005 110.816 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.75 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.57 -42.99 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 71.510000000000005 111.118 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -21.61 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 71.400000000000006 110.894 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -121.8 24.91 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 64.349999999999994 110.892 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 74.239999999999995 108.25 -179.909 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.778 0.323 . . . . 63.509999999999998 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.61 129.75 40.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 74.239999999999995 110.865 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.65 -23.33 36.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 55.0 112.535 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.23 118.67 37.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 119.31 -0.376 . . . . 54.43 110.874 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -67.43 150.4 48.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 62.219999999999999 108.358 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -115.51 -24.25 8.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.113 -0.949 . . . . 64.349999999999994 110.967 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.5 m -65.45 -43.98 88.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 64.340000000000003 111.194 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.6 -38.02 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 75.140000000000001 108.254 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.39 34.95 4.01 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.018 -0.992 . . . . 22.120000000000001 112.482 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.47 118.28 62.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.758 . . . . 62.119999999999997 110.887 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 90.24 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.651 2.234 . . . . 74.040000000000006 112.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.07 -63.38 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.821 -0.704 . . . . 64.299999999999997 112.54 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -96.99 -173.92 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 52.32 110.849 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.04 176.13 8.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 75.140000000000001 110.861 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.4 -42.87 61.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 54.130000000000003 110.88 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.68 -25.32 62.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 65.140000000000001 111.07 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -121.65 26.12 8.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 71.040000000000006 110.913 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -81.34 124.21 80.71 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 122.793 1.282 . . . . 73.239999999999995 108.34 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -12.2 32.36 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.677 2.251 . . . . 63.32 112.379 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -97.8 0.04 46.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 64.329999999999998 110.874 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 110.845 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 119.352 -0.356 . . . . 72.120000000000005 110.835 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.4 t -118.74 118.6 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 62.200000000000003 108.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.11 31.62 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.93 -1.032 . . . . 64.310000000000002 110.889 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.751 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -129.82 -35.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 74.25 110.895 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 p -131.71 14.84 4.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 34.030000000000001 108.302 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 58.95 20.88 8.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.959 -1.019 . . . . 74.219999999999999 110.91 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.14 157.75 39.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 74.420000000000002 112.488 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.0 ttm -123.5 94.08 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 63.219999999999999 110.896 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.27 -56.91 0.48 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 74.329999999999998 112.468 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -88.03 -172.93 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.757 0.313 . . . . 74.329999999999998 110.852 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.32 154.14 36.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 74.049999999999997 110.846 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.751 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.67 -42.83 75.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 64.340000000000003 111.133 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -59.68 -22.33 61.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 61.240000000000002 110.865 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -122.86 26.22 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 61.130000000000003 110.867 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 73.150000000000006 108.319 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.75 0.31 . . . . 75.430000000000007 111.086 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -65.37 89.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 70.239999999999995 110.902 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.32 -9.95 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 44.32 112.493 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.22 118.78 33.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 119.36 -0.352 . . . . 72.040000000000006 110.928 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.7 t -60.57 142.33 55.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 64.400000000000006 108.289 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -110.3 38.87 2.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.002 -0.999 . . . . 71.340000000000003 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.6 m -139.93 -48.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 72.140000000000001 111.159 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.29 -37.57 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 74.439999999999998 108.263 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.27 30.16 4.25 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.002 -0.999 . . . . 62.119999999999997 112.453 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -100.09 118.36 61.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.683 0.754 . . . . 70.420000000000002 110.885 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 98.38 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 72.319999999999993 112.339 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.7 -67.18 0.25 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 40.119999999999997 112.509 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -92.38 171.17 9.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 71.299999999999997 110.905 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.39 173.33 6.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 73.530000000000001 110.989 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -50.18 -40.59 47.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 65.329999999999998 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.69 70.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 64.140000000000001 111.116 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -109.24 17.32 21.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 73.530000000000001 110.969 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -74.08 124.36 89.99 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 122.788 1.28 . . . . 75.109999999999999 108.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -12.01 32.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 2.285 . . . . 73.0 112.342 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -98.27 0.5 45.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 62.310000000000002 110.852 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 34.530000000000001 110.885 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 119.352 -0.356 . . . . 72.019999999999996 110.826 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -120.73 117.89 28.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 51.439999999999998 108.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -94.69 31.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.993 -1.003 . . . . 75.150000000000006 110.873 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.74 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -129.45 -35.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 73.239999999999995 110.889 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.2 p -131.85 15.06 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 73.540000000000006 108.371 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.13 19.22 8.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.936 -1.029 . . . . 72.230000000000004 110.937 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.44 162.59 28.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 63.409999999999997 112.483 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -132.21 90.9 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 73.120000000000005 110.837 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.95 -47.01 0.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 62.509999999999998 112.507 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -97.77 -173.85 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.826 0.346 . . . . 63.450000000000003 110.871 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -116.53 150.91 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 63.229999999999997 110.886 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.74 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.46 -40.99 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 60.43 111.079 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -60.64 -24.28 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 74.120000000000005 110.897 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -117.26 22.77 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 73.120000000000005 110.98 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 75.030000000000001 108.307 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.715 0.293 . . . . 52.329999999999998 111.077 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -63.48 88.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 71.140000000000001 110.866 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.69 -14.35 0.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 13.51 112.49 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.95 121.74 43.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 119.318 -0.373 . . . . 60.240000000000002 110.895 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -64.24 140.77 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 74.120000000000005 108.242 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -108.1 39.66 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.997 -1.001 . . . . 75.319999999999993 110.919 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.1 m -140.43 -48.38 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 72.319999999999993 111.122 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -110.54 -37.35 5.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 44.409999999999997 108.322 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.01 30.03 4.37 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 114.945 -1.025 . . . . 63.039999999999999 112.493 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -99.39 118.6 62.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 73.310000000000002 110.885 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 96.72 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.725 2.283 . . . . 71.209999999999994 112.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.38 -68.82 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 54.109999999999999 112.528 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -90.48 171.46 9.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 72.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -114.03 173.96 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.439999999999998 110.922 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.87 -40.78 63.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 65.099999999999994 110.92 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.78 -18.13 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.010000000000005 111.061 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.27 16.97 9.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 72.049999999999997 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.8 t -71.23 124.27 90.71 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.832 1.301 . . . . 51.43 108.266 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -12.96 33.89 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.684 2.256 . . . . 71.340000000000003 112.368 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -97.27 1.17 49.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 75.019999999999996 110.953 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 110.85 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 119.318 -0.372 . . . . 73.299999999999997 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.4 t -123.6 117.19 24.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 62.450000000000003 108.284 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.96 28.77 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.02 -0.991 . . . . 65.340000000000003 110.854 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.816 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.91 -36.09 2.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 64.200000000000003 110.9 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -130.06 14.35 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 63.329999999999998 108.333 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 59.61 20.78 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.969 -1.014 . . . . 75.510000000000005 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.96 158.11 48.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.776 -0.726 . . . . 74.439999999999998 112.455 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.0 ttm -124.63 97.73 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.839 0.352 . . . . 74.310000000000002 110.908 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.89 -57.69 0.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.69 -0.767 . . . . 62.020000000000003 112.464 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -86.55 -173.4 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 73.340000000000003 110.882 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.56 151.27 38.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.109999999999999 110.935 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.816 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.24 -37.71 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 71.319999999999993 111.042 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -22.22 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 72.319999999999993 110.875 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.64 16.04 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 70.120000000000005 110.886 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.1 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 73.319999999999993 108.343 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.717 0.294 . . . . 64.010000000000005 111.048 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 135.05 26.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 72.530000000000001 110.917 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.3 -22.22 41.97 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 70.340000000000003 112.512 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.04 123.4 48.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 119.251 -0.404 . . . . 52.520000000000003 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.21 148.32 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.614 1.196 . . . . 62.450000000000003 108.335 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -114.35 -23.42 9.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.002 -0.999 . . . . 65.310000000000002 110.914 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.7 m -66.74 -43.14 84.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 63.310000000000002 111.199 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -111.77 -36.94 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 72.319999999999993 108.288 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.59 35.29 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.022 -0.99 . . . . 70.510000000000005 112.471 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.2 m -106.0 115.4 61.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.639 0.733 . . . . 72.129999999999995 110.787 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 96.42 0.6 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.694 2.263 . . . . 54.240000000000002 112.306 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.2 -26.06 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.743 . . . . 15.42 112.493 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -140.72 -175.04 4.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 70.019999999999996 110.828 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -129.46 178.21 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 110.959 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.4 -43.5 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 74.329999999999998 110.892 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.63 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 45.520000000000003 111.076 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -122.77 27.26 7.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 51.43 110.88 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.0 t -81.51 124.24 80.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.857 1.313 . . . . 62.240000000000002 108.285 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -12.41 32.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.799 2.333 . . . . 72.329999999999998 112.329 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -98.81 0.25 43.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 72.319999999999993 110.871 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.109999999999999 110.925 179.882 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 119.291 -0.385 . . . . 64.420000000000002 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.9 t -121.0 117.42 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 108.269 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -94.72 29.98 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.942 -1.027 . . . . 74.420000000000002 110.971 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.781 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -127.37 -35.51 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 50.25 110.848 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.3 p -130.9 14.6 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 64.420000000000002 108.301 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 59.78 20.19 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.03 -0.986 . . . . 54.509999999999998 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.45 161.37 38.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 64.439999999999998 112.506 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -128.56 95.32 4.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 71.219999999999999 110.97 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.52 -56.76 0.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 73.099999999999994 112.447 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -86.84 -173.51 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 74.219999999999999 110.872 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -117.88 150.61 38.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 71.25 110.861 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.781 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.24 -37.33 72.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 72.129999999999995 111.127 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -62.3 -22.23 65.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 70.340000000000003 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.02 16.48 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 65.430000000000007 110.916 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 73.519999999999996 108.288 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.779 0.323 . . . . 62.009999999999998 111.106 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 130.33 42.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 72.450000000000003 110.843 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.43 -22.69 39.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 63.210000000000001 112.478 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.06 119.8 39.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 119.277 -0.392 . . . . 65.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.16 150.59 48.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 72.109999999999999 108.243 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -115.92 -23.79 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.982 -1.008 . . . . 74.530000000000001 110.916 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.4 m -65.99 -43.73 86.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 60.539999999999999 111.1 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.51 -38.01 5.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 64.219999999999999 108.35 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 34.98 3.99 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 114.921 -1.036 . . . . 61.020000000000003 112.516 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -99.92 118.32 61.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 63.43 110.875 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 91.3 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.746 2.297 . . . . 70.049999999999997 112.303 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.04 -63.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.663 -0.779 . . . . 64.140000000000001 112.41 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -96.69 -174.61 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 75.430000000000007 110.851 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.42 176.2 8.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.140000000000001 110.919 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -51.73 -42.68 62.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 62.329999999999998 110.902 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.97 -23.53 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -123.37 25.53 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 54.439999999999998 110.958 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.5 t -80.61 124.22 82.14 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 122.754 1.264 . . . . 61.329999999999998 108.319 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -12.01 32.03 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.675 2.25 . . . . 72.040000000000006 112.314 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 0.36 44.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.549999999999997 110.949 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 75.409999999999997 110.917 179.857 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 119.258 -0.401 . . . . 71.030000000000001 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t -123.67 117.18 24.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 73.040000000000006 108.3 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.98 29.17 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.98 -1.009 . . . . 64.540000000000006 110.925 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.832 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -126.4 -35.66 2.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 63.109999999999999 110.966 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.7 p -130.51 14.32 5.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 54.539999999999999 108.257 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 m120 59.16 21.12 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.027 -0.988 . . . . 70.409999999999997 110.911 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.93 159.14 49.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.761 . . . . 41.420000000000002 112.509 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.6 ttt -125.77 100.8 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 65.099999999999994 110.907 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.31 -53.59 0.58 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.683 -0.77 . . . . 41.329999999999998 112.441 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -91.51 -173.52 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 62.299999999999997 110.881 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.45 151.47 37.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 62.109999999999999 110.877 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.832 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.27 -37.35 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.299999999999997 111.061 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -22.47 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 71.420000000000002 110.869 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -116.1 15.97 16.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 110.879 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 64.299999999999997 108.29 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.802 0.334 . . . . 73.209999999999994 111.106 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.29 126.24 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 65.540000000000006 110.846 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.33 -31.99 5.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.658 -0.782 . . . . 60.119999999999997 112.47 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.41 123.86 51.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 119.291 -0.385 . . . . 45.350000000000001 110.975 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -70.96 150.57 45.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 63.399999999999999 108.275 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -116.27 -24.36 7.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.011 -0.995 . . . . 72.209999999999994 110.904 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.6 m -64.91 -43.0 94.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 72.099999999999994 111.164 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.41 -38.33 4.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 61.329999999999998 108.32 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.17 34.43 3.96 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 114.988 -1.006 . . . . 71.430000000000007 112.473 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -100.44 119.75 58.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 53.109999999999999 110.947 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 96.23 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.272 . . . . 51.340000000000003 112.295 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.51 -65.58 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 63.329999999999998 112.464 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -94.85 -172.99 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.705 0.288 . . . . 75.019999999999996 110.916 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.41 178.07 7.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 64.209999999999994 110.91 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -49.88 -43.22 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 110.915 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.67 64.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 42.229999999999997 111.091 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -118.16 28.42 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.319999999999993 110.934 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 t -84.36 124.23 74.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.801 1.286 . . . . 72.129999999999995 108.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -12.54 33.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 73.340000000000003 112.309 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -98.24 0.66 46.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.947 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 65.129999999999995 110.895 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 119.351 -0.357 . . . . 71.349999999999994 110.814 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -118.66 118.36 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 63.329999999999998 108.223 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.19 31.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.943 -1.026 . . . . 72.430000000000007 110.888 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.763 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -128.99 -35.33 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 74.239999999999995 110.915 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.0 p -131.36 14.66 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 64.409999999999997 108.295 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.05 21.0 8.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.018 -0.992 . . . . 70.150000000000006 110.856 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.19 159.17 41.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.728 . . . . 73.439999999999998 112.493 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.9 tpp -124.34 95.86 4.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 73.219999999999999 110.96 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.09 -58.42 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 71.230000000000004 112.486 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -86.41 -173.0 4.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 54.219999999999999 110.848 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -121.09 153.26 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 63.210000000000001 110.873 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.763 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -54.6 -44.53 73.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 63.350000000000001 111.145 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -23.79 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 73.349999999999994 110.88 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.05 19.24 15.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 72.150000000000006 110.919 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 71.400000000000006 108.297 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.826 0.346 . . . . 63.450000000000003 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.82 133.34 37.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.230000000000004 110.875 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.98 -22.8 37.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 52.210000000000001 112.525 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.34 122.73 46.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 119.252 -0.404 . . . . 63.100000000000001 110.958 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -72.16 149.73 44.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 72.219999999999999 108.277 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -115.11 -23.29 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.999 -1.0 . . . . 71.129999999999995 110.935 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -66.54 -43.56 84.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 72.329999999999998 111.145 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -111.77 -38.28 4.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 53.119999999999997 108.201 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.64 34.89 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.063 -0.972 . . . . 64.409999999999997 112.444 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -101.89 115.19 65.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.739 . . . . 65.329999999999998 110.868 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 91.3 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 73.109999999999999 112.37 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.91 -42.84 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 71.540000000000006 112.51 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -120.94 -176.04 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 65.209999999999994 110.81 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.91 175.98 8.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 70.519999999999996 110.954 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -52.93 -39.17 62.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 71.310000000000002 110.951 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.65 -18.72 55.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 111.095 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -130.1 24.04 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 72.340000000000003 110.956 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.9 t -78.07 124.31 86.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 122.786 1.279 . . . . 33.140000000000001 108.283 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -11.91 31.73 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.746 2.297 . . . . 73.310000000000002 112.317 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.52 0.13 44.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 74.099999999999994 110.887 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 70.049999999999997 110.872 179.826 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 119.349 -0.358 . . . . 71.319999999999993 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.7 t -123.33 117.39 25.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 53.530000000000001 108.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 28.87 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.987 -1.006 . . . . 74.049999999999997 110.955 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.842 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -126.04 -36.19 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 72.120000000000005 110.907 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.82 14.38 5.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 72.329999999999998 108.319 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m120 59.44 20.86 9.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.99 -1.005 . . . . 50.140000000000001 110.916 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.96 158.18 47.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.732 . . . . 71.010000000000005 112.5 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.7 mtm -124.42 98.32 5.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 63.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.22 -57.32 0.51 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 62.210000000000001 112.494 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -87.35 -173.42 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 73.230000000000004 110.861 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -118.99 151.79 37.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 71.150000000000006 110.859 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.842 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.37 -37.63 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 61.240000000000002 111.101 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -61.83 -22.49 65.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 72.010000000000005 110.91 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -117.28 16.75 14.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 63.439999999999998 110.925 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 52.509999999999998 108.32 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.715 0.293 . . . . 61.530000000000001 111.111 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 131.13 45.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 73.340000000000003 110.839 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.55 -22.47 40.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 71.329999999999998 112.481 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.01 118.94 37.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 119.326 -0.368 . . . . 61.439999999999998 110.896 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.3 t -66.84 150.43 49.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 74.140000000000001 108.311 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -115.69 -23.96 8.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.012 -0.995 . . . . 73.129999999999995 110.863 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.8 m -65.99 -43.49 87.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 73.230000000000004 111.099 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.64 -37.99 5.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 73.140000000000001 108.265 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.19 35.16 4.0 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.017 -0.992 . . . . 21.25 112.47 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -100.16 118.36 61.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.585 0.707 . . . . 74.200000000000003 110.906 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 91.26 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.676 2.25 . . . . 73.409999999999997 112.365 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.24 -63.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 75.239999999999995 112.467 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.42 ' CE1' ' HD2' ' A' ' 35' ' ' PRO . 23.2 p80 -96.67 -174.32 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 71.140000000000001 110.884 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.68 175.34 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 73.340000000000003 110.885 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -51.5 -43.94 62.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 73.200000000000003 110.847 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.62 50.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 63.020000000000003 111.088 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.32 28.87 5.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 73.409999999999997 110.947 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.9 t -79.86 120.91 81.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.768 1.271 . . . . 73.219999999999999 108.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 54.1 Cg_endo -69.75 -13.83 35.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.259 . . . . 71.310000000000002 112.349 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.18 0.33 48.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 54.43 110.941 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 52.450000000000003 110.877 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 119.276 -0.392 . . . . 60.350000000000001 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.2 t -123.96 117.19 24.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 73.319999999999993 108.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.06 28.21 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.982 -1.008 . . . . 75.299999999999997 110.917 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.838 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.25 -36.4 2.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.510000000000005 110.933 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.56 14.43 6.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 64.120000000000005 108.283 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.46 20.79 9.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.004 -0.998 . . . . 74.209999999999994 110.9 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.2 157.86 48.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 71.5 112.449 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mtp -124.33 98.7 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 73.200000000000003 110.947 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.17 -56.57 0.52 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 52.399999999999999 112.501 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -88.27 -173.51 4.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 71.540000000000006 110.805 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -118.43 151.89 36.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 64.319999999999993 110.929 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.838 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -58.26 -35.23 71.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 72.519999999999996 111.101 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -21.99 65.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 75.219999999999999 110.904 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.36 15.72 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.109999999999999 110.903 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 64.340000000000003 108.267 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.491 -0.244 . . . . 45.030000000000001 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -76.42 71.74 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.861 0.362 . . . . 74.030000000000001 110.878 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.71 11.58 21.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 55.420000000000002 111.145 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 129.59 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 74.540000000000006 110.843 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.78 -25.45 16.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 75.219999999999999 112.563 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -112.85 116.38 29.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 119.341 -0.361 . . . . 75.25 110.902 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 t -68.32 147.02 52.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 73.150000000000006 108.317 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.477 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.6 t80 -111.86 -24.15 10.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.01 -0.996 . . . . 74.150000000000006 110.903 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -65.89 -41.35 91.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 70.239999999999995 111.091 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -113.07 -39.4 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 71.209999999999994 108.307 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.07 36.14 3.48 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.055 -0.975 . . . . 72.109999999999999 112.451 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.48 129.6 24.37 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.679 0.752 . . . . 63.439999999999998 110.858 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.82 167.25 25.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 45.350000000000001 112.324 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.73 -27.21 20.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 64.120000000000005 112.466 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -145.11 174.81 10.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 74.519999999999996 110.871 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.3 178.55 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 62.350000000000001 110.917 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -49.53 -43.25 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 72.519999999999996 110.9 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.55 -30.57 63.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 45.32 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -120.0 31.02 6.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 73.120000000000005 110.922 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 t -78.02 124.91 86.0 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 122.762 1.268 . . . . 71.140000000000001 108.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -13.1 34.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 33.420000000000002 112.35 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -97.39 0.26 47.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 72.150000000000006 110.901 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 106.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 61.409999999999997 110.898 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.16 -66.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 73.519999999999996 110.867 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.63 -173.78 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 64.439999999999998 110.912 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t 61.03 48.12 6.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 60.439999999999998 110.866 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.01 -89.91 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 74.430000000000007 112.514 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -154.03 -61.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 72.209999999999994 110.874 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.5 m 59.28 97.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 50.340000000000003 110.856 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -80.77 -68.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 71.530000000000001 110.894 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -163.98 29.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 61.140000000000001 110.906 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -101.95 173.32 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 71.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -123.85 117.5 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 55.420000000000002 108.303 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.0 29.63 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.982 -1.008 . . . . 54.439999999999998 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.776 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -126.97 -35.68 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 72.209999999999994 110.944 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.1 p -130.74 14.5 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 53.240000000000002 108.295 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 59.48 20.6 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.013 -0.994 . . . . 74.329999999999998 110.856 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.58 157.79 47.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 60.310000000000002 112.479 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 33.8 mtp -124.29 97.37 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 74.140000000000001 110.882 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.28 -57.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 75.400000000000006 112.521 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -87.27 -173.44 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 75.430000000000007 110.833 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -118.46 152.33 36.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 73.400000000000006 110.897 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.776 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -56.5 -40.09 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 60.119999999999997 111.076 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -22.0 65.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 71.25 110.88 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -117.35 18.85 14.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 54.539999999999999 110.964 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.5 t -85.5 125.47 33.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 72.200000000000003 108.307 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.39 167.24 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.99 -1.004 . . . . 70.200000000000003 110.868 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -118.05 150.28 39.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 70.329999999999998 110.884 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.12 -74.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 75.420000000000002 110.85 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 72.230000000000004 110.839 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.89 8.1 . 0.0 '__' . 73.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.022 8.247 . 0.453 1L . 74.239999999999995 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 C1'-O4'-C4' 116.809 8.01 . 0.562 1a . 74.310000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 116.839 8.043 . 0.634 1a . 73.450000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 93.334 -8.69 . 0.727 1a . 75.129999999999995 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.003 8.225 . 0.572 1a . 72.430000000000007 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 116.971 8.19 . 0.835 1a . 75.420000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 3 C1'-O4'-C4' 116.998 8.221 . 0.53 1a . 75.230000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . 0.436 ' C6 ' HD11 ' A' ' 49' ' ' LEU . . . . . . . . 0 C3'--C2' 1.504 -1.931 1 C1'-O4'-C4' 113.461 4.29 OUTLIER-DELTA 0.0 OUTLIER . 72.319999999999993 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 91.819 -9.772 . 0.0 OUTLIER . 70.450000000000003 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 91.352 -10.106 . 0.0 OUTLIER gamma 73.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 O4'-C4'-C3' 92.04 -9.614 . 0.0 OUTLIER gamma 74.040000000000006 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 C1'-O4'-C4' 116.796 7.996 . 0.081 1L . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 117.178 8.42 . 0.6 1a . 75.340000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 O4'-C4'-C3' 92.397 -9.359 . 0.858 1a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.356 7.507 . 0.0 OUTLIER gamma 72.409999999999997 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 3 C1'-O4'-C4' 116.826 8.029 . 0.0 OUTLIER . 74.510000000000005 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 116.829 8.032 . 0.187 1a . 75.450000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 94.138 -8.115 . 0.803 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 O4'-C4'-C3' 94.119 -8.129 . 0.786 1a . 75.140000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 3 O4'-C4'-C3' 93.718 -8.415 . 0.577 1a . 75.400000000000006 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.241 8.49 . 0.018 1L . 75.109999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 3 O4'-C4'-C3' 93.242 -8.755 . 0.0 OUTLIER . 75.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 1 O4'-C4'-C3' 90.504 -10.712 . 0.0 OUTLIER gamma 45.030000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 93.473 -8.591 . 0.0 OUTLIER . 75.420000000000002 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 3 C1'-O4'-C4' 116.851 8.056 . 0.01 1c . 73.140000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.84 8.044 . 0.0 OUTLIER . 72.409999999999997 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.782 7.98 . 0.0 OUTLIER '7D dist 5n wannabe' 75.430000000000007 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.79 7.989 . 0.489 1a . 61.020000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 93.964 -8.24 . 0.547 1a . 74.129999999999995 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 116.782 7.98 . 0.842 1a . 73.120000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 117.084 8.315 . 0.338 1a . 74.120000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 116.792 7.991 . 0.511 1a . 74.200000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 116.841 8.045 . 0.537 1a . 75.209999999999994 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 117.204 8.448 . 0.542 1a . 75.530000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 3 O4'-C4'-C3' 92.976 -8.946 . 0.616 1a . 72.219999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 116.824 8.026 . 0.243 1L . 74.549999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 3 O4'-C4'-C3' 91.958 -9.673 . 0.0 OUTLIER . 75.230000000000004 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 92.075 -9.59 . 0.0 OUTLIER . 70.439999999999998 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 93.615 -8.489 . 0.0 OUTLIER . 75.430000000000007 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.855 1 C1'-O4'-C4' 114.941 5.934 . 0.0 OUTLIER gamma 73.200000000000003 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 3 O4'-C4'-C3' 91.609 -9.922 . 0.019 1e . 73.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 O4'-C4'-C3' 92.665 -9.168 . 0.342 1a . 72.340000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 92.341 -9.399 . 0.592 1a . 74.219999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 116.885 8.094 . 0.603 1a . 75.239999999999995 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 117.298 8.553 . 0.141 1L . 75.310000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 116.841 8.045 . 0.0 OUTLIER zeta-1 74.150000000000006 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 117.301 8.557 . 0.0 OUTLIER . 73.540000000000006 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 C1'-O4'-C4' 116.905 8.116 . 0.0 OUTLIER . 74.219999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 116.829 8.033 . 0.454 1L . 74.540000000000006 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.943 8.159 . 0.469 1a . 73.319999999999993 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.811 8.012 . 0.659 1a . 75.430000000000007 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.853 8.059 . 0.494 1a . 72.400000000000006 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.802 8.002 . 0.1 1L . 74.510000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.883 8.092 . 0.0 OUTLIER zeta-1 75.239999999999995 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 116.847 8.052 . 0.01 1m . 70.040000000000006 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.007 8.229 . 0.429 1L . 74.099999999999994 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 117.124 8.36 . 0.167 1a . 73.400000000000006 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.477 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.9 3 O4'-C4'-C3' 93.61 -8.493 . 0.019 1g . 75.129999999999995 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.343 -9.168 0 C3'-C2'-O2' 102.688 -3.659 OUTLIER-DELTA 0.0 OUTLIER delta 73.5 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 1 O4'-C4'-C3' 90.144 -10.968 . 0.0 OUTLIER delta-1 71.319999999999993 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 94.076 -8.16 . 0.0 OUTLIER gamma 74.530000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 91.752 -9.82 . 0.416 1L . 75.109999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 1 O4'-C4'-C3' 91.526 -9.981 . 0.152 1a . 70.519999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.488 2 C1'-O4'-C4' 116.556 7.729 . 0.0 OUTLIER '7D dist 5n wannabe' 72.109999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 94.055 -8.175 . 0.0 OUTLIER '7D dist 1a' 74.209999999999994 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.829 8.032 . 0.398 1a . 74.450000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.804 8.004 . 0.0 OUTLIER . 74.219999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 C1'-O4'-C4' 117.18 8.423 . 0.328 1a . 74.219999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.81 8.011 . 0.418 1a . 65.010000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 116.796 7.995 . 0.32 1a . 75.040000000000006 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.778 7.976 . 0.746 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.043 8.27 . 0.715 1a . 72.040000000000006 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.039 8.266 . 0.788 1a . 74.519999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 C1'-O4'-C4' 116.833 8.037 . 0.796 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.45 -0.26 . . . . 51.109999999999999 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -116.47 -32.27 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 72.519999999999996 110.865 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 16' ' ' ARG . . . 67.31 10.8 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.329999999999998 111.101 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.2 128.39 30.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 71.109999999999999 110.892 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.05 -28.03 14.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 74.209999999999994 112.433 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.67 124.51 46.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 119.359 -0.353 . . . . 61.130000000000003 110.884 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.4 t -75.23 150.55 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 42.409999999999997 108.284 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.43 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 3.3 t80 -115.5 -24.88 8.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.968 -1.015 . . . . 73.409999999999997 110.892 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -64.51 -43.2 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 75.420000000000002 111.131 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.94 -38.31 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 55.350000000000001 108.333 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 35.37 3.83 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 114.945 -1.025 . . . . 53.43 112.499 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -100.21 118.34 61.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.739 . . . . 60.299999999999997 110.899 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 91.16 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.732 2.288 . . . . 71.049999999999997 112.344 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.29 -62.2 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.69 -0.767 . . . . 65.299999999999997 112.464 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -98.42 -172.07 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.333 . . . . 73.230000000000004 110.896 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.39 177.98 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 63.310000000000002 110.889 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -51.21 -42.68 61.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 75.030000000000001 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.93 -25.77 61.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 64.129999999999995 111.031 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -123.22 27.95 7.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 63.009999999999998 110.993 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 t -83.94 124.05 75.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.726 1.25 . . . . 44.210000000000001 108.272 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -12.39 32.65 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.598 2.199 . . . . 55.009999999999998 112.353 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -98.17 0.19 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 72.349999999999994 110.916 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -68.41 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.010000000000005 110.873 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.37 -173.29 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.299999999999997 110.88 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm -140.49 -74.41 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 74.409999999999997 110.929 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.03 165.66 33.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.994 0.426 . . . . 64.230000000000004 110.849 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.09 154.28 6.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.818 -0.706 . . . . 73.129999999999995 112.544 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -157.21 -74.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 70.540000000000006 110.828 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m 63.2 104.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 110.894 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -113.01 101.45 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 72.040000000000006 110.856 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.28 -169.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 73.239999999999995 110.896 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -93.7 167.97 11.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.129999999999995 110.813 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.5 t -119.38 117.57 28.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 64.319999999999993 108.313 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.67 31.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.039 -0.982 . . . . 73.430000000000007 110.906 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.68 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -128.71 -35.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 72.340000000000003 110.903 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.9 p -131.95 15.0 4.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 70.439999999999998 108.282 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.11 19.52 8.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.006 -0.997 . . . . 73.420000000000002 110.932 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.54 162.21 29.81 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.67 -0.776 . . . . 64.219999999999999 112.497 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.5 ttp -129.71 91.74 3.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 72.230000000000004 110.889 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.45 -55.4 0.46 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 53.409999999999997 112.461 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -88.4 -173.78 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 72.120000000000005 110.858 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.56 151.71 36.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 65.239999999999995 110.858 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.68 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -54.86 -43.08 72.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 65.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.76 -23.68 63.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 74.450000000000003 110.87 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.48 18.57 16.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 63.130000000000003 110.984 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.4 t -85.31 139.56 31.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 75.030000000000001 108.32 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -72.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.0 -1.0 . . . . 70.099999999999994 110.858 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -177.77 141.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 64.409999999999997 110.868 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.21 157.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.129999999999995 110.87 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 74.140000000000001 110.888 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 117.052 8.28 . 0.0 '__' . 74.530000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.984 8.205 . 0.43 1a . 74.510000000000005 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.046 2 C1'-O4'-C4' 116.773 7.97 . 0.768 1a . 72.019999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 94.106 -8.139 . 0.752 1a . 73.209999999999994 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.13 8.367 . 0.192 1a . 73.299999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.833 2 C1'-O4'-C4' 116.958 8.176 . 0.618 1a . 75.349999999999994 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.833 2 C1'-O4'-C4' 117.078 8.309 . 0.343 1a . 72.209999999999994 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.178 8.42 . 0.02 1a . 75.219999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 O4'-C4'-C3' 92.422 -9.341 . 0.0 OUTLIER gamma 74.450000000000003 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 116.868 8.076 . 0.01 1c . 74.209999999999994 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 93.297 -8.717 . 0.0 OUTLIER gamma 73.329999999999998 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 O4'-C4'-C3' 92.791 -9.078 . 0.124 7a . 74.200000000000003 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.813 8.014 . 0.415 1a . 72.409999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 117.116 8.351 . 0.762 1a . 75.209999999999994 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 3 O4'-C4'-C3' 92.582 -9.227 . 0.659 1a . 75.430000000000007 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 3 C1'-O4'-C4' 117.151 8.389 . 0.0 OUTLIER . 72.140000000000001 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.963 8.181 . 0.0 OUTLIER . 72.349999999999994 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.864 8.071 . 0.56 1a . 74.120000000000005 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 C1'-O4'-C4' 116.961 8.179 . 0.835 1a . 73.420000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.18 8.423 . 0.807 1a . 75.219999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 93.475 -8.589 . 0.657 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.244 8.494 . 0.058 1L . 75.439999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 1 O4'-C4'-C3' 90.367 -10.809 . 0.0 OUTLIER . 74.5 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 1 O4'-C4'-C3' 90.58 -10.657 . 0.0 OUTLIER . 73.129999999999995 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 1 C1'-O4'-C4' 104.424 -5.751 OUTLIER-DELTA 0.0 OUTLIER . 72.010000000000005 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 116.798 7.998 . 0.0 OUTLIER gamma 75.25 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 116.83 8.033 . 0.0 OUTLIER . 73.219999999999999 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.768 7.964 . 0.0 OUTLIER gamma 75.120000000000005 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.777 7.974 . 0.524 1a . 70.519999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.952 8.169 . 0.23 1a . 75.299999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 116.807 8.008 . 0.694 1a . 74.510000000000005 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.09 2 C1'-O4'-C4' 117.08 8.311 . 0.726 1a . 74.209999999999994 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 116.816 8.018 . 0.7 1a . 72.25 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 116.758 7.954 . 0.793 1a . 75.530000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 C1'-O4'-C4' 117.179 8.421 . 0.639 1a . 72.239999999999995 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 117.275 8.528 . 0.673 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 116.839 8.043 . 0.01 1m . 73.140000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 92.121 -9.556 . 0.0 OUTLIER . 73.239999999999995 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 1 O4'-C4'-C3' 90.19 -10.936 . 0.0 OUTLIER gamma 73.219999999999999 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.863 8.07 . 0.0 OUTLIER . 73.310000000000002 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . 0.439 " O3'" " H4'" ' B' ' 201' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 117.011 8.234 . 0.0 OUTLIER gamma 72.340000000000003 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . 0.439 " H4'" " O3'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 91.269 -10.165 . 0.029 1e . 64.140000000000001 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 O4'-C4'-C3' 92.264 -9.454 . 0.204 1a . 75.439999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 91.95 -9.679 . 0.404 1a . 75.5 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.928 8.143 . 0.384 1a . 74.310000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 117.275 8.528 . 0.178 1L . 70.409999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 3 C1'-O4'-C4' 116.806 8.007 . 0.0 OUTLIER zeta-1 74.349999999999994 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 117.266 8.518 . 0.0 OUTLIER . 73.209999999999994 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.843 3 C1'-O4'-C4' 117.008 8.231 . 0.0 OUTLIER . 75.140000000000001 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 C1'-O4'-C4' 116.767 7.963 . 0.458 1L . 72.219999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 116.949 8.165 . 0.036 1a . 73.349999999999994 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 116.819 8.021 . 0.624 1a . 73.5 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.08 3 O4'-C4'-C3' 93.652 -8.463 . 0.546 1a . 74.129999999999995 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.886 8.095 . 0.064 1L . 75.219999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.072 2 C1'-O4'-C4' 117.052 8.28 . 0.0 OUTLIER zeta-1 74.329999999999998 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.803 8.003 . 0.425 1a . 75.420000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 117.172 8.413 . 0.378 1L . 72.219999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.485 2.68 2 C1'-O4'-C4' 116.525 7.695 . 0.179 1a . 71.430000000000007 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.43 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 O4'-C4'-C3' 91.7 -9.857 . 0.0 OUTLIER gamma 74.200000000000003 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.363 -7.527 2 O4'-C4'-C3' 93.932 -8.263 . 0.0 OUTLIER . 73.420000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 1 O4'-C4'-C3' 90.451 -10.749 . 0.0 OUTLIER '7D dist 5n wannabe' 71.150000000000006 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.1 2 C1'-O4'-C4' 116.663 7.847 . 0.014 1a . 75.200000000000003 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 2 C1'-O4'-C4' 117.436 8.707 . 0.0 OUTLIER gamma 71.340000000000003 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 2 C1'-O4'-C4' 117.61 8.9 . 0.103 1a . 74.120000000000005 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 2 C1'-O4'-C4' 117.048 8.276 . 0.0 OUTLIER gamma 73.230000000000004 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 O4'-C4'-C3' 93.447 -8.609 . 0.346 7a . 72.120000000000005 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 3 O4'-C4'-C3' 94.263 -8.027 . 0.288 1a . 73.129999999999995 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 116.771 7.967 . 0.0 OUTLIER '7D dist 1L' 75.540000000000006 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 C1'-O4'-C4' 117.063 8.292 . 0.637 1a . 73.519999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.861 8.068 . 0.431 1a . 75.219999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.817 8.019 . 0.585 1a . 73.120000000000005 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 116.808 8.009 . 0.716 1a . 74.310000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 O4'-C4'-C3' 93.3 -8.714 . 0.675 1a . 71.219999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.989 8.21 . 0.425 1a . 73.019999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.812 2 C1'-O4'-C4' 116.808 8.009 . 0.677 1a . 72.140000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 112.543 -0.223 . . . . 53.409999999999997 112.543 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -138.66 145.88 40.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 55.210000000000001 110.914 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.52 17.6 1.03 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 73.129999999999995 111.146 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 135.36 28.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 43.039999999999999 110.868 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.52 -22.24 41.24 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.742 -0.742 . . . . 41.420000000000002 112.446 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.38 122.01 46.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 119.339 -0.363 . . . . 61.439999999999998 110.934 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.0 t -68.84 150.66 47.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 72.140000000000001 108.336 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.1 t80 -116.11 -23.94 8.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.015 -0.993 . . . . 71.120000000000005 110.88 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.3 m -65.87 -43.74 87.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 63.240000000000002 111.143 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 p -111.47 -38.08 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 74.430000000000007 108.276 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.11 35.35 3.97 Favored Glycine 0 N--CA 1.452 -0.243 0 CA-C-N 114.992 -1.004 . . . . 74.019999999999996 112.489 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -100.68 118.91 59.92 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.747 . . . . 63.43 110.912 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 93.98 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.743 2.296 . . . . 63.439999999999998 112.307 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.23 -64.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 63.32 112.507 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -96.0 -173.85 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 75.040000000000006 110.848 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.62 176.32 8.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.439 . . . . 62.439999999999998 110.995 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -51.45 -42.95 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 75.430000000000007 110.982 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.43 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 73.239999999999995 111.093 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -122.73 26.26 8.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 72.530000000000001 110.898 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -81.05 124.17 81.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 122.842 1.306 . . . . 74.400000000000006 108.283 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -12.05 32.17 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.625 2.216 . . . . 63.439999999999998 112.396 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.53 0.35 44.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 72.430000000000007 110.856 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -45.21 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.409999999999997 110.88 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -98.32 127.84 44.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 110.918 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.49 102.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 75.299999999999997 110.882 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 p -142.95 135.29 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.450000000000003 110.851 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.28 -69.04 1.0 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.638 -0.791 . . . . 50.130000000000003 112.451 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -131.08 134.82 46.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 71.040000000000006 110.887 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.07 176.7 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 64.329999999999998 110.93 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -113.21 161.67 16.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 55.34 26.7 8.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 64.209999999999994 110.86 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 -102.81 173.32 6.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 71.439999999999998 110.864 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.6 t -124.3 117.19 23.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 74.140000000000001 108.349 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.0 27.88 2.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.99 -1.005 . . . . 73.349999999999994 110.955 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.839 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -124.96 -36.19 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 74.120000000000005 110.959 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.8 14.48 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 41.130000000000003 108.285 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.43 20.71 9.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.035 -0.984 . . . . 71.140000000000001 110.892 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.19 157.59 49.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 65.129999999999995 112.447 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.2 mtp -124.09 98.5 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 74.409999999999997 110.889 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.4 -56.98 0.51 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.758 -0.734 . . . . 65.150000000000006 112.479 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -87.7 -173.65 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 71.030000000000001 110.873 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -118.34 151.46 37.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.310000000000002 110.907 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.839 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -58.13 -34.88 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 42.409999999999997 111.086 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -22.55 66.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 60.229999999999997 110.867 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -115.41 14.76 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 52.329999999999998 110.938 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.5 t -92.41 137.76 32.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 64.420000000000002 108.276 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 55.67 75.42 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.961 -1.018 . . . . 73.25 110.918 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -172.61 129.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 75.299999999999997 110.881 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 59.32 91.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 54.439999999999998 110.854 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 55.109999999999999 110.858 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 117.139 8.377 . 0.0 '__' . 72.430000000000007 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.874 8.082 . 0.711 1a . 71.120000000000005 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.78 7.978 . 0.534 1a . 75.430000000000007 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 117.029 8.254 . 0.572 1a . 73.230000000000004 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 O4'-C4'-C3' 93.57 -8.521 . 0.75 1a . 75.109999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 116.849 8.055 . 0.74 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 94.251 -8.035 . 0.841 1a . 75.319999999999993 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 94.071 -8.164 . 0.794 1a . 75.329999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 91.057 -10.317 . 0.0 OUTLIER gamma 74.409999999999997 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.032 1 O4'-C4'-C3' 90.189 -10.937 . 0.0 OUTLIER . 74.519999999999996 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . 0.519 ' O2 ' HD21 ' A' ' 49' ' ' LEU . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 116.928 8.142 . 0.662 9a . 74.430000000000007 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 92.793 -9.076 . 0.027 7a . 72.430000000000007 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 116.802 8.002 . 0.654 1a . 74.219999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 117.018 8.242 . 0.572 1a . 74.400000000000006 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 O4'-C4'-C3' 93.399 -8.643 . 0.763 1a . 70.319999999999993 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 1 O4'-C4'-C3' 90.82 -10.486 . 0.0 OUTLIER . 73.310000000000002 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 117.205 8.45 . 0.0 OUTLIER . 72.549999999999997 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.02 2 C1'-O4'-C4' 116.842 8.046 . 0.511 1a . 75.140000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.042 2 O4'-C4'-C3' 93.473 -8.591 . 0.709 1a . 74.209999999999994 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.043 8.27 . 0.517 1a . 74.209999999999994 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 93.385 -8.654 . 0.655 1a . 75.140000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 C1'-O4'-C4' 117.242 8.491 . 0.051 1L . 64.030000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 1 O4'-C4'-C3' 91.166 -10.239 . 0.095 1f . 74.430000000000007 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 1 O4'-C4'-C3' 90.527 -10.695 . 0.0 OUTLIER . 73.349999999999994 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 91.16 -10.243 . 0.0 OUTLIER . 73.340000000000003 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.797 7.997 . 0.0 OUTLIER . 75.109999999999999 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.805 8.006 . 0.0 OUTLIER . 74.209999999999994 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 3 C1'-O4'-C4' 116.812 8.014 . 0.0 OUTLIER . 72.329999999999998 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.755 7.951 . 0.413 1a . 73.239999999999995 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.129 8.365 . 0.094 1a . 75.420000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.87 2 C1'-O4'-C4' 116.793 7.992 . 0.733 1a . 72.530000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 116.866 8.074 . 0.603 1a . 73.420000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.844 2 C1'-O4'-C4' 116.794 7.993 . 0.704 1a . 75.340000000000003 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 116.831 8.034 . 0.795 1a . 74.140000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.015 8.239 . 0.734 1a . 74.540000000000006 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 O4'-C4'-C3' 93.765 -8.382 . 0.683 1a . 72.109999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.854 8.061 . 0.082 1a . 75.310000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 91.31 -10.135 . 0.0 OUTLIER . 74.129999999999995 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 1 C1'-O4'-C4' 103.98 -6.245 OUTLIER-DELTA 0.0 OUTLIER gamma 75.129999999999995 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.953 8.17 . 0.0 OUTLIER '7D dist 5d' 65.340000000000003 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 117.231 8.479 . 0.0 OUTLIER '7D dist 3g wannabe' 73.549999999999997 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 O4'-C4'-C3' 91.751 -9.821 . 0.0 OUTLIER . 71.230000000000004 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 92.933 -8.977 . 0.794 1a . 73.340000000000003 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 94.088 -8.152 . 0.478 1a . 72.120000000000005 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.924 8.137 . 0.463 1a . 71.349999999999994 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.297 8.552 . 0.14 1L . 74.019999999999996 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 116.764 7.959 . 0.0 OUTLIER zeta-1 75.340000000000003 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.316 8.574 . 0.0 OUTLIER . 75.400000000000006 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.888 3 C1'-O4'-C4' 116.87 8.078 . 0.0 OUTLIER . 75.549999999999997 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.727 7.918 . 0.456 1L . 75.530000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.939 8.155 . 0.474 1a . 75.120000000000005 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.738 7.931 . 0.815 1a . 73.239999999999995 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.86 8.067 . 0.339 1a . 73.099999999999994 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.86 8.066 . 0.76 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.857 8.063 . 0.0 OUTLIER zeta-1 75.430000000000007 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.851 8.057 . 0.0 OUTLIER . 73.200000000000003 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 92.744 -9.111 . 0.605 1L . 72.5 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 94.191 -8.078 . 0.389 1a . 73.319999999999993 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.407 " O2'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.212 2 O4'-C4'-C3' 91.967 -9.666 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.219999999999999 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.407 ' OP1' " O2'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.388 -5.454 2 C1'-O4'-C4' 118.082 9.424 . 0.0 OUTLIER epsilon-1 75.340000000000003 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 1 O4'-C4'-C3' 91.189 -10.222 . 0.0 OUTLIER gamma 74.239999999999995 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.991 8.212 . 0.0 OUTLIER gamma 74.319999999999993 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.974 2 O4'-C4'-C3' 93.111 -8.849 . 0.01 1a . 74.340000000000003 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.041 1 O4'-C4'-C3' 92.373 -9.377 . 0.251 1a . 74.319999999999993 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 1 C1'-O4'-C4' 115.921 7.024 . 0.0 OUTLIER . 74.430000000000007 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 117.23 8.478 . 0.089 1a . 70.540000000000006 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 O4'-C4'-C3' 94.287 -8.009 . 0.291 1a . 73.430000000000007 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.726 7.918 . 0.0 OUTLIER . 75.549999999999997 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.14 8.378 . 0.755 1a . 75.329999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.829 8.032 . 0.72 1a . 72.209999999999994 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.843 8.048 . 0.741 1a . 54.399999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 116.855 8.061 . 0.749 1a . 75.430000000000007 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 93.921 -8.27 . 0.848 1a . 71.420000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.133 8.37 . 0.722 1a . 74.540000000000006 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 116.782 7.98 . 0.528 1a . 74.530000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.513 -0.235 . . . . 54.25 112.513 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 62.71 102.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 65.230000000000004 110.839 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' HB3' ' H21' ' B' ' 218' ' ' ' G' . . . -94.44 21.11 7.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 74.340000000000003 111.154 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -51.12 134.88 26.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 73.329999999999998 110.839 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.0 -22.59 40.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.69 -0.767 . . . . 74.510000000000005 112.443 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.8 124.76 50.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 119.301 -0.381 . . . . 72.349999999999994 110.92 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.65 147.99 43.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 60.310000000000002 108.288 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.409 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 7.1 t80 -115.15 -22.56 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.003 -0.999 . . . . 54.219999999999999 110.916 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.2 m -67.52 -42.66 82.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 74.140000000000001 111.146 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.3 p -111.92 -36.72 5.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 64.409999999999997 108.325 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.99 34.69 4.5 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 114.992 -1.004 . . . . 43.219999999999999 112.49 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -105.12 115.32 62.47 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.661 0.743 . . . . 75.319999999999993 110.9 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 97.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.711 2.274 . . . . 71.409999999999997 112.328 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.13 -34.7 0.26 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 74.129999999999995 112.516 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -130.81 -173.72 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 72.349999999999994 110.894 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 177.77 7.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 73.239999999999995 110.881 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -51.29 -43.3 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 72.409999999999997 110.885 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.96 -25.54 63.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 74.010000000000005 111.061 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -121.15 26.59 8.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 74.340000000000003 110.891 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -80.96 124.25 81.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.786 1.279 . . . . 65.340000000000003 108.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -12.33 32.61 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.664 2.243 . . . . 53.109999999999999 112.29 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 0.51 44.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 74.409999999999997 110.895 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -78.6 98.33 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.934 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.04 157.98 8.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 72.329999999999998 110.852 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -169.43 -58.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.299999999999997 110.942 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.79 42.81 7.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 61.109999999999999 110.833 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.03 -113.5 0.95 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.739 -0.743 . . . . 71.329999999999998 112.533 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -134.23 156.52 48.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.871 0.367 . . . . 73.019999999999996 110.876 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.5 m 62.69 69.91 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 62.350000000000001 110.87 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.32 174.15 6.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 73.109999999999999 110.93 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -106.65 -34.72 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 73.439999999999998 110.892 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.1 ttt-85 -98.33 172.77 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 72.019999999999996 110.834 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.7 t -124.61 116.8 23.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 71.25 108.247 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -94.08 30.44 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.003 -0.999 . . . . 71.140000000000001 110.917 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.733 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -127.62 -35.35 2.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 61.240000000000002 110.906 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.0 p -131.97 15.25 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.384 1.053 . . . . 71.450000000000003 108.336 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m120 59.28 20.38 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.994 -1.003 . . . . 71.540000000000006 110.912 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.94 156.48 47.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 50.130000000000003 112.505 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.6 tpt -123.79 93.38 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 65.319999999999993 110.875 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.42 -57.39 0.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.822 -0.704 . . . . 42.229999999999997 112.5 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -86.89 -173.37 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 73.219999999999999 110.88 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -118.28 151.03 38.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 71.420000000000002 110.904 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.733 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.22 -44.37 75.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 74.519999999999996 111.098 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -58.55 -22.22 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 72.430000000000007 110.907 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -116.63 17.38 15.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.019999999999996 110.886 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.7 t -84.69 130.74 34.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 73.239999999999995 108.25 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 60.03 174.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.975 -1.011 . . . . 74.510000000000005 110.915 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.32 -176.52 5.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 70.209999999999994 110.848 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -65.29 -32.63 74.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 75.439999999999998 110.853 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 71.409999999999997 110.856 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 117.056 8.284 . 0.0 '__' . 72.209999999999994 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.841 8.046 . 0.879 1a . 73.030000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 C1'-O4'-C4' 116.747 7.941 . 0.734 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 117.24 8.489 . 0.637 1a . 73.5 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.881 8.09 . 0.681 1a . 75.319999999999993 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 93.976 -8.231 . 0.824 1a . 74.150000000000006 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 117.283 8.537 . 0.647 1a . 73.349999999999994 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.898 8.109 . 0.607 1a . 72.040000000000006 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 1 C1'-O4'-C4' 103.881 -6.354 OUTLIER-DELTA 0.0 OUTLIER . 75.420000000000002 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.828 8.031 . 0.0 OUTLIER . 75.030000000000001 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 93.691 -8.435 . 0.307 3a . 75.510000000000005 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 94.229 -8.051 . 0.0 OUTLIER gamma 63.140000000000001 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.785 7.983 . 0.041 1a . 72.150000000000006 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 O4'-C4'-C3' 92.766 -9.096 . 0.826 1a . 73.349999999999994 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 O4'-C4'-C3' 92.081 -9.585 . 0.834 1a . 74.430000000000007 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 91.257 -10.174 . 0.0 OUTLIER . 65.340000000000003 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.082 8.314 . 0.0 OUTLIER . 73.409999999999997 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.76 7.956 . 0.548 1a . 74.349999999999994 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.944 8.16 . 0.792 1a . 73.430000000000007 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.125 8.361 . 0.786 1a . 72.430000000000007 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.78 -8.372 . 0.664 1a . 74.129999999999995 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 C1'-O4'-C4' 117.164 8.405 . 0.046 1L . 63.439999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 1 O4'-C4'-C3' 90.529 -10.693 . 0.0 OUTLIER alpha 73.299999999999997 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 116.549 7.721 . 0.0 OUTLIER . 72.140000000000001 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 1 O4'-C4'-C3' 91.376 -10.089 . 0.0 OUTLIER . 65.219999999999999 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 3 C1'-O4'-C4' 116.726 7.918 . 0.0 OUTLIER . 74.109999999999999 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.062 2 C1'-O4'-C4' 116.811 8.013 . 0.0 OUTLIER . 74.340000000000003 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 C1'-O4'-C4' 116.805 8.006 . 0.0 OUTLIER gamma 75.129999999999995 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.061 2 C1'-O4'-C4' 116.798 7.998 . 0.515 1a . 73.040000000000006 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.859 8.065 . 0.217 1a . 75.319999999999993 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.86 2 C1'-O4'-C4' 116.738 7.931 . 0.637 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 117.113 8.348 . 0.624 1a . 70.340000000000003 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 116.824 8.027 . 0.812 1a . 74.430000000000007 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 116.826 8.028 . 0.801 1a . 74.239999999999995 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 117.225 8.472 . 0.628 1a . 75.349999999999994 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 O4'-C4'-C3' 92.806 -9.067 . 0.792 1a . 75.109999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.787 7.986 . 0.05 1a . 74.319999999999993 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 91.97 -9.664 . 0.0 OUTLIER . 73.5 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 91.826 -9.767 . 0.0 OUTLIER . 74.329999999999998 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.826 8.029 . 0.0 OUTLIER . 74.019999999999996 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 C1'-O4'-C4' 117.223 8.47 . 0.0 OUTLIER . 73.239999999999995 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 91.143 -10.255 . 0.0 OUTLIER . 74.150000000000006 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 91.859 -9.744 . 0.363 1a . 73.340000000000003 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 93.132 -8.834 . 0.377 1a . 75.010000000000005 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.876 8.085 . 0.605 1a . 74.319999999999993 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.425 " H2'" ' C8 ' ' B' ' 206' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.297 8.552 . 0.096 1L . 73.299999999999997 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . 0.425 ' C8 ' " H2'" ' B' ' 205' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.854 8.06 . 0.0 OUTLIER zeta-1 74.519999999999996 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 117.301 8.557 . 0.0 OUTLIER . 75.329999999999998 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.842 3 C1'-O4'-C4' 116.845 8.05 . 0.0 OUTLIER . 74.439999999999998 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 116.785 7.984 . 0.454 1L . 75.549999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.943 8.159 . 0.454 1a . 75.230000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.051 2 C1'-O4'-C4' 116.767 7.963 . 0.609 1a . 75.209999999999994 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.811 8.013 . 0.136 1a . 74.340000000000003 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.939 -8.258 . 0.231 1L . 74.129999999999995 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.883 8.092 . 0.0 OUTLIER zeta-1 64.340000000000003 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 C1'-O4'-C4' 116.807 8.008 . 0.0 OUTLIER '7D dist 1m' 73.340000000000003 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 117.146 8.385 . 0.342 1L . 63.409999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 94.084 -8.154 . 0.189 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.429 ' H21' ' HB3' ' A' ' 17' ' ' ALA . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 O4'-C4'-C3' 91.64 -9.9 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.140000000000001 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.409 ' OP1' " O2'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.362 -7.591 2 C1'-O4'-C4' 118.571 9.968 . 0.0 OUTLIER epsilon-1 75.409999999999997 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.043 1 O4'-C4'-C3' 89.8 -11.215 . 0.0 OUTLIER gamma 74.420000000000002 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.95 8.167 . 0.0 OUTLIER gamma 73.019999999999996 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.902 2 O4'-C4'-C3' 92.079 -9.586 . 0.386 1L . 72.120000000000005 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 1 O4'-C4'-C3' 91.38 -10.086 . 0.163 1a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.918 2 C1'-O4'-C4' 116.591 7.767 . 0.0 OUTLIER '7D dist 5n wannabe' 74.409999999999997 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 92.878 -9.015 . 0.127 1a . 65.120000000000005 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 94.32 -7.986 . 0.301 1a . 73.049999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 116.786 7.985 . 0.0 OUTLIER . 74.349999999999994 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.218 8.464 . 0.229 1a . 75.420000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 116.839 8.043 . 0.552 1a . 75.109999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.113 2 C1'-O4'-C4' 116.773 7.97 . 0.272 1a . 72.510000000000005 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.846 2 C1'-O4'-C4' 116.817 8.019 . 0.7 1a . 73.329999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 117.197 8.441 . 0.82 1a . 74.439999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 117.094 8.326 . 0.845 1a . 74.120000000000005 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.831 8.034 . 0.672 1a . 73.129999999999995 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 112.559 -0.216 . . . . 45.030000000000001 112.559 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -68.98 -71.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 72.430000000000007 110.855 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.51 15.96 9.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 35.100000000000001 111.101 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -56.41 128.4 35.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 71.439999999999998 110.864 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.4 -22.98 37.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.672 -0.775 . . . . 74.519999999999996 112.506 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.05 117.56 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 119.303 -0.379 . . . . 75.409999999999997 110.923 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 t -66.36 150.35 49.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 63.140000000000001 108.367 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.415 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.6 t80 -115.35 -23.92 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.083 -0.962 . . . . 75.040000000000006 110.962 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.4 ' HG1' ' CD ' ' A' ' 31' ' ' GLN . 17.0 m -65.86 -44.03 86.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 73.329999999999998 111.086 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 p -111.46 -37.98 5.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 73.400000000000006 108.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 34.87 4.02 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 114.976 -1.011 . . . . 73.439999999999998 112.504 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.43 118.1 62.81 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.644 0.735 . . . . 75.540000000000006 110.889 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 89.61 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.716 2.277 . . . . 72.329999999999998 112.302 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.96 -62.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 52.420000000000002 112.491 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -98.05 -174.25 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 75.209999999999994 110.819 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.37 175.82 8.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 74.109999999999999 110.913 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.4 ' CD ' ' HG1' ' A' ' 23' ' ' THR . 0.4 OUTLIER -51.27 -42.84 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 110.886 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.93 -24.68 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 111.055 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -122.01 25.88 8.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 74.420000000000002 110.858 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 t -81.23 124.14 81.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 122.798 1.285 . . . . 55.409999999999997 108.339 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -11.88 31.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 71.25 112.311 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.2 -0.03 44.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.040000000000006 110.872 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 120.0 6.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.26 -0.427 . . . . 73.299999999999997 110.876 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -113.24 158.4 20.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 74.340000000000003 110.881 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -129.9 165.87 21.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 71.239999999999995 110.907 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.91 165.31 7.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 71.230000000000004 110.859 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.2 172.75 46.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 62.149999999999999 112.455 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -152.69 -51.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.367 . . . . 64.200000000000003 110.901 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.7 m -156.24 170.42 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 110.882 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 71.24 6.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 72.049999999999997 110.883 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -148.53 -43.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 62.100000000000001 110.862 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -101.34 173.63 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 72.219999999999999 110.83 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.6 t -124.76 117.06 23.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 60.140000000000001 108.281 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -94.93 28.54 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.982 -1.008 . . . . 61.439999999999998 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.822 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.5 -36.11 2.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 71.439999999999998 110.911 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.0 p -130.05 14.55 5.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 72.409999999999997 108.315 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.44 20.76 9.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.941 -1.027 . . . . 52.130000000000003 110.845 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.98 157.65 48.55 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 61.229999999999997 112.535 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.424 ' HB3' " H1'" ' B' ' 199' ' ' ' G' . 1.3 tmt? -124.57 97.52 5.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.348 . . . . 62.43 110.872 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.53 -56.8 0.5 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 53.350000000000001 112.442 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -87.81 -173.62 4.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 74.349999999999994 110.851 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -117.79 151.49 37.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 110.916 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.822 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.72 -36.99 72.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 62.020000000000003 111.186 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -21.5 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 72.319999999999993 110.901 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.22 15.42 15.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 72.019999999999996 110.912 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.2 t -90.2 140.8 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 73.420000000000002 108.322 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 60.14 178.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.052 -0.976 . . . . 72.319999999999993 110.861 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.13 69.42 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 63.25 110.913 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -137.29 132.8 34.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 65.400000000000006 110.868 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 75.519999999999996 110.793 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 117.252 8.502 . 0.0 '__' . 73.430000000000007 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.954 8.171 . 0.679 1a . 72.519999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 116.839 8.043 . 0.82 1a . 74.450000000000003 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.848 2 C1'-O4'-C4' 117.193 8.437 . 0.579 1a . 75.230000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.902 8.114 . 0.82 1a . 73.319999999999993 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.917 8.13 . 0.404 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.094 8.327 . 0.704 1a . 70.230000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 C1'-O4'-C4' 116.953 8.17 . 0.726 1a . 74.010000000000005 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 O4'-C4'-C3' 90.952 -10.391 . 0.0 OUTLIER . 73.219999999999999 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.882 1 O4'-C4'-C3' 90.97 -10.379 . 0.0 OUTLIER . 75.450000000000003 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 115.902 7.002 . 0.0 OUTLIER gamma 74.540000000000006 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.114 -9.561 . 0.0 OUTLIER gamma 71.140000000000001 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.066 2 C1'-O4'-C4' 116.774 7.971 . 0.02 1a . 74.239999999999995 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 O4'-C4'-C3' 94.175 -8.089 . 0.708 1a . 64.030000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 93.896 -8.289 . 0.807 1a . 74.140000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 116.876 8.084 . 0.0 OUTLIER gamma 74.439999999999998 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 3 C1'-O4'-C4' 116.968 8.187 . 0.0 OUTLIER zeta-1 74.219999999999999 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.833 8.036 . 0.536 1a . 73.010000000000005 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 93.474 -8.59 . 0.743 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.169 8.41 . 0.621 1a . 73.129999999999995 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 93.621 -8.485 . 0.654 1a . 74.239999999999995 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.256 8.507 . 0.032 1L . 74.450000000000003 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 1 O4'-C4'-C3' 90.892 -10.434 . 0.0 OUTLIER alpha 74.219999999999999 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 92.358 -9.387 . 0.0 OUTLIER gamma 72.519999999999996 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.187 8.43 . 0.308 1f . 73.129999999999995 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.768 7.964 . 0.0 OUTLIER . 74.109999999999999 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 116.885 8.095 . 0.0 OUTLIER . 70.5 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.823 8.026 . 0.064 3g . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.803 8.004 . 0.523 1a . 74.349999999999994 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 116.959 8.177 . 0.365 1a . 73.340000000000003 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.781 7.979 . 0.76 1a . 75.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 94.203 -8.07 . 0.754 1a . 74.099999999999994 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.038 2 C1'-O4'-C4' 116.765 7.962 . 0.5 1a . 75.129999999999995 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 116.865 8.072 . 0.671 1a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.137 8.375 . 0.319 1a . 74.439999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 3 O4'-C4'-C3' 91.706 -9.853 . 0.642 1a . 75.439999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.77 7.966 . 0.299 1a . 73.420000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 91.502 -9.998 . 0.0 OUTLIER . 73.25 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 3 O4'-C4'-C3' 91.301 -10.142 . 0.0 OUTLIER gamma 74.209999999999994 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . 0.424 " H1'" ' HB3' ' A' ' 53' ' ' MET . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.859 8.065 . 0.0 OUTLIER . 74.349999999999994 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 117.211 8.456 . 0.0 OUTLIER . 74.349999999999994 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.07 2 O4'-C4'-C3' 90.867 -10.452 . 0.0 OUTLIER . 75.219999999999999 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 O4'-C4'-C3' 91.716 -9.846 . 0.367 1a . 70.25 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 92.491 -9.292 . 0.428 1a . 70.439999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.991 8.213 . 0.423 1a . 74.530000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 117.186 8.429 . 0.219 1L . 74.019999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 3 C1'-O4'-C4' 116.829 8.032 . 0.0 OUTLIER zeta-1 73.430000000000007 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.06 2 C1'-O4'-C4' 117.245 8.494 . 0.0 OUTLIER '7D dist &a' 75.040000000000006 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 3 C1'-O4'-C4' 117.146 8.385 . 0.0 OUTLIER . 72.340000000000003 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.735 7.928 . 0.45 1L . 72.510000000000005 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 117.095 8.327 . 0.494 1a . 74.549999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.814 8.016 . 0.585 1a . 74.230000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 C1'-O4'-C4' 116.741 7.935 . 0.17 1a . 75.109999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 94.131 -8.121 . 0.192 1L . 71.310000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.924 8.137 . 0.0 OUTLIER zeta-1 73.409999999999997 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.807 8.008 . 0.0 OUTLIER . 74.329999999999998 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 117.065 8.294 . 0.269 1L . 75.209999999999994 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.857 8.063 . 0.63 1a . 74.150000000000006 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.415 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 91.467 -10.024 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.140000000000001 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.404 ' O2 ' " H2'" ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.36 -7.723 2 C1'-O4'-C4' 118.488 9.875 . 0.0 OUTLIER epsilon-1 73.310000000000002 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 1 O4'-C4'-C3' 89.841 -11.185 . 0.0 OUTLIER gamma 74.430000000000007 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.245 8.495 . 0.0 OUTLIER gamma 71.120000000000005 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 2 O4'-C4'-C3' 92.704 -9.14 . 0.0 OUTLIER '7D dist 1a' 72.439999999999998 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 1 O4'-C4'-C3' 91.531 -9.978 . 0.172 1a . 74.040000000000006 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 2 C1'-O4'-C4' 116.629 7.81 . 0.01 5n . 75.120000000000005 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.028 2 C1'-O4'-C4' 116.913 8.126 . 0.078 1a . 75.099999999999994 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 3 C1'-O4'-C4' 116.824 8.027 . 0.142 1a . 75.420000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.877 8.086 . 0.0 OUTLIER . 64.319999999999993 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.032 2 C1'-O4'-C4' 117.251 8.501 . 0.537 1a . 71.239999999999995 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 C1'-O4'-C4' 116.772 7.969 . 0.06 1a . 74.299999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 116.886 8.096 . 0.748 1a . 73.230000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.818 8.02 . 0.182 1a . 74.129999999999995 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.055 8.283 . 0.602 1a . 75.230000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 117.077 8.308 . 0.791 1a . 74.349999999999994 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.872 8.08 . 0.723 1a . 74.230000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 N-CA-C 112.586 -0.206 . . . . 74.230000000000004 112.586 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -55.56 -66.43 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 61.310000000000002 110.822 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.13 13.95 8.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 41.420000000000002 111.133 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.54 88.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 62.210000000000001 110.891 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.72 -8.68 1.8 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.664 -0.779 . . . . 64.319999999999993 112.42 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.13 119.9 36.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 119.299 -0.381 . . . . 74.200000000000003 110.978 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.4 t -61.89 141.71 57.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 65.310000000000002 108.29 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -109.49 39.31 2.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.042 -0.981 . . . . 74.209999999999994 110.914 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 m -140.27 -48.11 0.44 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 64.099999999999994 111.118 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -110.38 -37.52 5.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 35.43 108.231 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 30.16 4.27 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.003 -0.999 . . . . 70.030000000000001 112.491 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -100.23 118.53 61.16 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.639 0.733 . . . . 73.340000000000003 110.887 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 98.41 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.711 2.274 . . . . 61.409999999999997 112.335 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.88 -67.61 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 63.130000000000003 112.47 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -92.15 171.45 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 71.140000000000001 110.874 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -114.01 174.01 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 71.540000000000006 110.907 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -51.93 -40.98 61.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 60.030000000000001 110.903 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.92 -23.41 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 51.43 111.094 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.97 18.48 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 63.340000000000003 110.921 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.35 124.13 90.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.808 1.29 . . . . 75.299999999999997 108.263 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -13.32 34.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.637 2.224 . . . . 73.329999999999998 112.336 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.47 0.14 47.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 53.009999999999998 110.894 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -87.25 98.77 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 75.150000000000006 110.907 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.52 151.05 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 64.040000000000006 110.856 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -155.1 84.52 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 110.979 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.0 t -166.44 126.77 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.420000000000002 110.883 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -143.97 50.02 0.68 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.66 -0.781 . . . . 62.450000000000003 112.476 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -163.67 124.7 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.345 . . . . 53.43 110.894 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 m -145.89 134.53 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 51.119999999999997 110.9 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.13 -54.75 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 52.219999999999999 110.818 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -129.8 27.87 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 72.25 110.879 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.94 173.49 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 65.129999999999995 110.87 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.9 t -124.66 117.14 23.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 74.510000000000005 108.343 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.79 28.61 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.039 -0.982 . . . . 44.119999999999997 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.804 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.78 -35.99 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 62.140000000000001 110.936 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.1 p -130.1 14.42 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 72.430000000000007 108.286 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.35 20.82 9.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.01 -0.996 . . . . 73.340000000000003 110.9 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.03 156.97 49.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 70.209999999999994 112.498 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.64 97.38 5.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 53.130000000000003 110.818 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.64 -57.92 0.48 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 75.430000000000007 112.511 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -86.6 -173.53 4.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.766 0.317 . . . . 75.409999999999997 110.834 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -118.29 151.46 37.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 73.510000000000005 110.894 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.804 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.9 -36.01 71.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 75.299999999999997 111.056 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -62.37 -22.17 65.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.409999999999997 110.89 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -115.86 15.37 16.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 63.229999999999997 110.863 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t -91.12 136.41 33.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 72.049999999999997 108.315 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 53.67 28.73 8.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.978 -1.01 . . . . 70.319999999999993 110.849 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -126.29 90.3 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 75.530000000000001 110.893 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -144.06 159.11 43.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 73.25 110.819 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 72.530000000000001 110.874 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 O4'-C4'-C3' 93.076 -8.875 . 0.0 '__' . 74.510000000000005 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.922 8.136 . 0.599 1a . 73.219999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 C1'-O4'-C4' 116.81 8.011 . 0.784 1a . 75.510000000000005 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.013 8.237 . 0.858 1a . 75.030000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 116.89 8.1 . 0.876 1a . 73.439999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.887 8.097 . 0.823 1a . 74.310000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 93.425 -8.625 . 0.899 1a . 73.299999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 92.692 -9.149 . 0.785 1a . 72.510000000000005 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 O4'-C4'-C3' 91.571 -9.949 . 0.0 OUTLIER . 71.409999999999997 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 1 O4'-C4'-C3' 90.435 -10.761 . 0.0 OUTLIER . 73.230000000000004 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.526 7.695 . 0.0 OUTLIER gamma 75.420000000000002 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.009 8.232 . 0.293 1L . 73.530000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.847 8.052 . 0.696 1a . 71.120000000000005 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 93.231 -8.763 . 0.846 1a . 71.239999999999995 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 92.968 -8.951 . 0.695 1a . 74.319999999999993 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.779 1 O4'-C4'-C3' 90.68 -10.586 . 0.0 OUTLIER . 75.439999999999998 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.062 2 C1'-O4'-C4' 117.005 8.228 . 0.0 OUTLIER zeta-1 74.099999999999994 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.826 8.028 . 0.636 1a . 72.200000000000003 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.875 2 C1'-O4'-C4' 116.972 8.191 . 0.773 1a . 74.340000000000003 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.054 2 O4'-C4'-C3' 93.44 -8.615 . 0.828 1a . 71.200000000000003 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 O4'-C4'-C3' 93.363 -8.669 . 0.62 1a . 74.019999999999996 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 117.194 8.438 . 0.019 1L . 73.209999999999994 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 O4'-C4'-C3' 91.07 -10.307 . 0.0 OUTLIER . 74.120000000000005 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 1 O4'-C4'-C3' 90.554 -10.676 . 0.0 OUTLIER gamma 73.329999999999998 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 1 O4'-C4'-C3' 91.024 -10.34 . 0.0 OUTLIER . 73.420000000000002 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.839 8.043 . 0.0 OUTLIER gamma 70.019999999999996 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 C1'-O4'-C4' 116.772 7.969 . 0.0 OUTLIER . 73.299999999999997 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.799 7.999 . 0.401 5n . 74.299999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.752 7.947 . 0.466 1a . 75.239999999999995 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 117.163 8.403 . 0.152 1a . 62.25 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.862 8.069 . 0.697 1a . 75.329999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 116.956 8.174 . 0.746 1a . 73.420000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.806 8.006 . 0.743 1a . 75.409999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 116.785 7.983 . 0.778 1a . 72.420000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.884 8.093 . 0.744 1a . 74.329999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 O4'-C4'-C3' 93.377 -8.659 . 0.694 1a . 75.319999999999993 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.844 8.049 . 0.246 1a . 73.430000000000007 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 O4'-C4'-C3' 91.746 -9.824 . 0.101 1f . 72.439999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 90.89 -10.436 . 0.0 OUTLIER gamma 73.209999999999994 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.768 7.965 . 0.0 OUTLIER gamma 73.319999999999993 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 117.224 8.471 . 0.0 OUTLIER . 73.420000000000002 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 1 O4'-C4'-C3' 90.283 -10.869 . 0.0 OUTLIER . 74.120000000000005 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 O4'-C4'-C3' 91.03 -10.336 . 0.519 1a . 74.439999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 O4'-C4'-C3' 92.934 -8.976 . 0.35 1a . 70.5 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 116.877 8.086 . 0.413 1a . 71.329999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 117.181 8.423 . 0.217 1L . 72.230000000000004 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 3 C1'-O4'-C4' 116.835 8.038 . 0.0 OUTLIER zeta-1 74.040000000000006 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 117.285 8.539 . 0.0 OUTLIER . 71.310000000000002 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 3 C1'-O4'-C4' 117.063 8.292 . 0.0 OUTLIER . 74.310000000000002 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 116.768 7.965 . 0.452 1L . 73.230000000000004 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 117.128 8.365 . 0.482 1a . 74.099999999999994 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 116.825 8.027 . 0.566 1a . 73.340000000000003 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.801 8.001 . 0.356 1a . 74.450000000000003 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.763 7.959 . 0.168 1a . 75.120000000000005 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.818 2 C1'-O4'-C4' 116.908 8.119 . 0.0 OUTLIER zeta-1 74.310000000000002 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.833 8.037 . 0.0 OUTLIER . 74.230000000000004 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 117.049 8.277 . 0.187 1L . 74.230000000000004 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 94.343 -7.97 . 0.618 1a . 74.140000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 92.245 -9.468 OUTLIER-EPSILON 0.0 OUTLIER gamma 75.140000000000001 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.367 -7.151 2 C1'-O4'-C4' 118.461 9.845 . 0.0 OUTLIER epsilon-1 72.019999999999996 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 1 O4'-C4'-C3' 89.82 -11.2 . 0.0 OUTLIER gamma 75.439999999999998 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 117.272 8.524 . 0.0 OUTLIER gamma 74.030000000000001 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.324 2 O4'-C4'-C3' 92.665 -9.168 . 0.0 OUTLIER '7D dist 1a' 74.400000000000006 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 1 O4'-C4'-C3' 91.433 -10.048 . 0.169 1a . 74.140000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 2 C1'-O4'-C4' 116.567 7.741 . 0.0 OUTLIER '7D dist 5n wannabe' 74.040000000000006 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 O4'-C4'-C3' 93.513 -8.562 . 0.082 1a . 73.549999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 116.773 7.97 . 0.329 1a . 74.129999999999995 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.832 8.035 . 0.0 OUTLIER . 74.510000000000005 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.099 8.332 . 0.687 1a . 72.439999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.788 7.987 . 0.733 1a . 72.030000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 116.723 7.914 . 0.75 1a . 70.340000000000003 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.813 8.015 . 0.598 1a . 72.299999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.867 2 O4'-C4'-C3' 93.778 -8.373 . 0.857 1a . 70.230000000000004 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 117.005 8.228 . 0.698 1a . 72.530000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.819 8.021 . 0.786 1a . 72.230000000000004 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 N-CA-C 112.544 -0.222 . . . . 45.030000000000001 112.544 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.9 mtt85 -136.53 -62.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 73.420000000000002 110.88 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.73 14.45 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 42.409999999999997 111.102 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.54 134.39 50.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 75.109999999999999 110.946 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.42 -22.33 40.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 71.519999999999996 112.501 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.89 144.76 25.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 119.299 -0.381 . . . . 73.319999999999993 110.948 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.3 t -99.47 152.35 20.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 73.420000000000002 108.297 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -110.84 -30.1 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.984 -1.007 . . . . 74.230000000000004 110.88 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.5 m -62.32 -47.4 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 70.219999999999999 111.087 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.1 p -106.7 -40.23 5.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 70.510000000000005 108.302 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.34 37.53 4.02 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.028 -0.987 . . . . 62.240000000000002 112.516 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.26 120.91 46.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 74.530000000000001 110.874 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 83.99 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.684 2.256 . . . . 74.400000000000006 112.38 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.37 -33.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 75.319999999999993 112.467 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -136.78 -178.38 5.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 74.219999999999999 110.914 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.46 165.07 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 110.865 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -51.51 -38.52 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 74.099999999999994 110.925 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.49 50.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 53.109999999999999 111.105 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -127.43 31.49 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 53.25 110.919 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.7 t -73.6 126.23 89.94 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 122.851 1.31 . . . . 62.119999999999997 108.304 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -11.94 31.93 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 73.319999999999993 112.36 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.62 -0.57 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.010000000000005 110.886 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -25.72 60.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 71.329999999999998 110.882 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.12 -170.07 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 72.340000000000003 110.861 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.4 175.42 8.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 64.219999999999999 110.97 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.35 -170.22 3.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 61.109999999999999 110.889 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -172.31 -147.65 5.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 64.129999999999995 112.469 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -152.67 174.29 14.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 61.200000000000003 110.856 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.06 -176.49 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 75.409999999999997 110.871 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -170.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 75.099999999999994 110.895 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -117.65 26.02 10.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.891 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -107.61 173.23 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 73.400000000000006 110.821 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t -123.68 117.38 24.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 70.340000000000003 108.364 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.07 29.17 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.012 -0.995 . . . . 61.109999999999999 110.939 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.815 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -126.59 -35.93 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 110.861 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.8 p -130.35 14.35 5.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.62 1.2 . . . . 62.409999999999997 108.345 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 59.34 20.92 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.997 -1.001 . . . . 55.450000000000003 110.848 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.32 158.08 48.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 44.200000000000003 112.49 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -124.57 98.72 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 74.209999999999994 110.84 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.25 -57.82 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 74.129999999999995 112.453 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -86.42 -173.52 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 73.040000000000006 110.862 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -118.53 150.73 39.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 72.310000000000002 110.873 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.815 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.98 -39.94 72.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 70.329999999999998 111.149 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -61.7 -23.24 65.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 65.239999999999995 110.875 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.66 17.08 15.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 63.009999999999998 110.852 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.7 t -83.3 133.31 34.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 74.340000000000003 108.284 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.57 53.73 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.972 -1.013 . . . . 73.409999999999997 110.899 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 148.24 6.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 60.420000000000002 110.894 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.07 50.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 54.420000000000002 110.862 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 70.430000000000007 110.856 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 93.52 -8.557 . 0.0 '__' . 75.219999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 116.992 8.214 . 0.673 1a . 72.430000000000007 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.848 8.053 . 0.719 1a . 75.409999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.028 2 C1'-O4'-C4' 116.92 8.133 . 0.751 1a . 74.099999999999994 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 117.01 8.233 . 0.777 1a . 73.540000000000006 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 C1'-O4'-C4' 117.109 8.344 . 0.618 1a . 75.299999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 117.179 8.421 . 0.563 1a . 71.219999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 116.942 8.158 . 0.347 1a . 74.319999999999993 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.184 8.426 . 0.0 OUTLIER gamma 74.319999999999993 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.979 3 C1'-O4'-C4' 116.882 8.092 . 0.499 7d . 75.140000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 116.208 7.342 . 0.0 OUTLIER gamma 72.129999999999995 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 91.781 -9.799 . 0.479 1a . 73.319999999999993 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.828 8.031 . 0.642 1a . 72.510000000000005 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.846 2 C1'-O4'-C4' 117.221 8.468 . 0.603 1a . 63.549999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 3 O4'-C4'-C3' 91.507 -9.995 . 0.708 1a . 71.420000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 91.697 -9.859 . 0.0 OUTLIER . 74.219999999999999 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 117.131 8.367 . 0.0 OUTLIER . 75.209999999999994 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.724 7.916 . 0.697 1a . 74.530000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 O4'-C4'-C3' 93.332 -8.692 . 0.724 1a . 74.040000000000006 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 117.098 8.331 . 0.536 1a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 93.432 -8.62 . 0.661 1a . 75.030000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.172 8.413 . 0.057 1L . 75.430000000000007 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 O4'-C4'-C3' 94.049 -8.18 . 0.0 OUTLIER . 73.450000000000003 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 94.075 -8.161 . 0.0 OUTLIER . 74.549999999999997 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 1 O4'-C4'-C3' 90.545 -10.682 . 0.0 OUTLIER gamma 71.439999999999998 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.839 8.043 . 0.01 1c . 73.530000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 116.855 8.061 . 0.0 OUTLIER . 62.530000000000001 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 C1'-O4'-C4' 116.834 8.038 . 0.0 OUTLIER . 75.030000000000001 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.796 7.995 . 0.531 1a . 74.510000000000005 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 117.101 8.334 . 0.082 1a . 74.430000000000007 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.821 8.023 . 0.459 1a . 74.209999999999994 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 94.177 -8.088 . 0.669 1a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.867 8.075 . 0.686 1a . 74.430000000000007 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.757 7.952 . 0.684 1a . 74.230000000000004 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 O4'-C4'-C3' 93.658 -8.459 . 0.73 1a . 73.510000000000005 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.655 -9.175 . 0.359 1a . 72.310000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.852 8.057 . 0.181 1a . 75.140000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.366 7.518 . 0.081 &a . 73.439999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 1 O4'-C4'-C3' 90.671 -10.592 . 0.0 OUTLIER . 74.109999999999999 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 116.94 8.156 . 0.0 OUTLIER gamma 72.230000000000004 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 1 C1'-O4'-C4' 114.801 5.778 . 0.0 OUTLIER gamma 74.219999999999999 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 92.486 -9.295 . 0.0 OUTLIER gamma 71.439999999999998 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.974 8.193 . 0.425 1a . 71.329999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.839 8.043 . 0.625 1a . 74.530000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.907 8.118 . 0.507 1a . 73.129999999999995 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 117.258 8.509 . 0.161 1L . 70.439999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.75 7.945 . 0.0 OUTLIER gamma 73.549999999999997 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 117.307 8.563 . 0.0 OUTLIER . 73.439999999999998 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 3 C1'-O4'-C4' 116.867 8.075 . 0.0 OUTLIER . 74.140000000000001 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 116.833 8.036 . 0.424 1L . 74.209999999999994 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 117.105 8.339 . 0.411 1a . 75.239999999999995 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.836 8.04 . 0.783 1a . 75.439999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 116.781 7.979 . 0.86 1a . 74.140000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 116.766 7.962 . 0.553 1a . 73.200000000000003 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.818 8.02 . 0.0 OUTLIER '7D dist 1a' 73.310000000000002 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 116.772 7.969 . 0.331 1m . 75.400000000000006 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 117.127 8.363 . 0.355 1L . 75.219999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 117.298 8.553 . 0.0 OUTLIER gamma 74.040000000000006 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.417 " C5'" ' OP2' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.403 -4.14 2 O4'-C4'-C3' 92.735 -9.118 OUTLIER-EPSILON 0.0 OUTLIER gamma 63.420000000000002 . . . . . . . . . . 5 4 . 1 . 007 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.417 ' OP2' " C5'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.388 -5.445 2 C1'-O4'-C4' 118.062 9.403 . 0.0 OUTLIER epsilon-1 75.239999999999995 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 1 O4'-C4'-C3' 91.036 -10.331 . 0.0 OUTLIER gamma 74.099999999999994 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.319 8.577 . 0.0 OUTLIER gamma 73.409999999999997 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 2 O4'-C4'-C3' 93.976 -8.232 . 0.18 1L . 74.519999999999996 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 1 O4'-C4'-C3' 91.74 -9.828 . 0.234 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.995 3 O4'-C4'-C3' 93.084 -8.868 . 0.015 5n . 74.209999999999994 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 117.392 8.657 . 0.0 OUTLIER gamma 75.409999999999997 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.868 2 C1'-O4'-C4' 116.8 8.0 . 0.383 1a . 71.219999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 116.73 7.922 . 0.0 OUTLIER . 74.329999999999998 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 93.624 -8.483 . 0.321 1a . 75.099999999999994 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 116.817 8.019 . 0.515 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 116.718 7.908 . 0.734 1a . 75.200000000000003 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.753 7.948 . 0.766 1a . 75.140000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 O4'-C4'-C3' 93.717 -8.416 . 0.821 1a . 73.329999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 117.153 8.392 . 0.042 1a . 74.340000000000003 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.811 8.012 . 0.47 1a . 75.109999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.478 -0.249 . . . . 51.200000000000003 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.449 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 9.3 mtt180 -67.32 -64.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 65.040000000000006 110.873 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 16' ' ' ARG . . . 69.36 7.29 6.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 72.400000000000006 111.125 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -64.56 87.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 75.430000000000007 110.878 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.92 -18.28 0.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 64.219999999999999 112.432 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.85 112.56 24.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 119.348 -0.358 . . . . 64.329999999999998 110.826 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -55.26 138.76 44.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 64.129999999999995 108.341 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -106.26 39.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.029 -0.987 . . . . 74.129999999999995 110.88 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.0 m -139.87 -48.64 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.319999999999993 111.147 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -110.47 -37.36 5.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 53.520000000000003 108.319 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.72 31.04 4.07 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.021 -0.99 . . . . 44.109999999999999 112.43 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -98.85 118.49 62.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.687 0.756 . . . . 64.109999999999999 110.814 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 91.92 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.624 2.216 . . . . 40.509999999999998 112.384 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 167.88 -70.04 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 64.140000000000001 112.499 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -88.78 172.16 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.309 . . . . 71.450000000000003 110.958 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.13 173.2 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 73.439999999999998 110.881 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -50.41 -41.91 52.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 74.319999999999993 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.84 -29.48 69.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 15.220000000000001 111.105 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -109.92 18.05 20.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 62.109999999999999 110.908 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.1 t -74.62 124.01 89.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.736 1.255 . . . . 73.230000000000004 108.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -12.73 33.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.71 2.273 . . . . 64.530000000000001 112.316 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -98.54 0.27 44.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 72.030000000000001 110.895 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -87.97 112.85 23.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.430000000000007 110.925 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -159.91 39.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 73.340000000000003 110.819 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.19 -170.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 62.409999999999997 110.898 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 99.5 p -98.7 -38.37 9.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 61.009999999999998 110.945 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.63 154.88 4.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.808 -0.71 . . . . 61.340000000000003 112.5 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -146.41 55.51 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 71.030000000000001 110.903 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 m 61.56 62.49 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 55.140000000000001 110.891 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -118.78 -173.4 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 73.319999999999993 110.89 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -112.19 112.98 24.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 72.200000000000003 110.936 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -101.85 172.72 6.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 71.519999999999996 110.916 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -123.6 117.13 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 73.230000000000004 108.292 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.01 29.09 2.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.985 -1.007 . . . . 70.109999999999999 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.78 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -126.19 -35.79 2.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 72.319999999999993 110.901 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.6 p -130.29 14.24 5.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 62.219999999999999 108.344 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.91 20.38 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.99 -1.004 . . . . 63.549999999999997 110.883 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.53 159.29 45.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 75.420000000000002 112.442 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.9 mtp -126.49 96.82 4.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 74.239999999999995 110.845 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.29 -56.63 0.49 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 75.209999999999994 112.436 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -87.34 -174.16 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 71.099999999999994 110.873 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -117.71 148.14 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 64.200000000000003 110.904 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.78 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -53.22 -46.33 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 44.32 111.089 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HG3' " H2'" ' B' ' 168' ' ' ' A' . 0.0 OUTLIER -53.55 -27.31 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 73.310000000000002 110.862 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -98.59 -17.63 18.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.549999999999997 110.852 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.7 t -66.55 107.62 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 74.319999999999993 108.33 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ptt85 -91.41 -171.55 2.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.004 -0.998 . . . . 74.109999999999999 110.865 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.98 152.54 3.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 110.851 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.99 -40.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 110.902 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 64.310000000000002 110.897 179.933 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 116.917 8.129 . 0.0 '__' . 75.109999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.954 8.171 . 0.81 1a . 74.120000000000005 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.86 8.066 . 0.703 1a . 73.049999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.161 8.402 . 0.732 1a . 71.420000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 94.041 -8.185 . 0.805 1a . 75.010000000000005 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 117.106 8.34 . 0.691 1a . 74.319999999999993 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 C1'-O4'-C4' 117.186 8.429 . 0.665 1a . 75.400000000000006 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 94.181 -8.085 . 0.426 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . 0.402 " H2'" ' HG3' ' A' ' 58' ' ' LYS . . . . . . . . 0 C3'--C2' 1.505 -1.827 2 C1'-O4'-C4' 116.859 8.065 . 0.0 OUTLIER '7D dist 5j' 72.230000000000004 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 C1'-O4'-C4' 115.92 7.022 . 0.0 OUTLIER gamma 74.109999999999999 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 O4'-C4'-C3' 93.708 -8.423 . 0.143 9a . 75.230000000000004 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 93.986 -8.224 . 0.0 OUTLIER gamma 75.209999999999994 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 116.822 8.025 . 0.04 1a . 73.430000000000007 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 93.77 -8.379 . 0.597 1a . 73.310000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 O4'-C4'-C3' 93.057 -8.888 . 0.771 1a . 72.200000000000003 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 3 C1'-O4'-C4' 116.419 7.577 . 0.0 OUTLIER . 75.340000000000003 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.039 8.265 . 0.0 OUTLIER . 74.140000000000001 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.78 7.978 . 0.585 1a . 75.540000000000006 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 93.82 -8.343 . 0.564 1a . 72.310000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 C1'-O4'-C4' 117.148 8.387 . 0.448 1a . 74.310000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 O4'-C4'-C3' 93.602 -8.499 . 0.654 1a . 73.329999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.225 8.472 . 0.025 1L . 74.129999999999995 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 1 C1'-O4'-C4' 104.354 -5.829 OUTLIER-DELTA 0.0 OUTLIER gamma 75.219999999999999 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 1 O4'-C4'-C3' 90.562 -10.67 . 0.0 OUTLIER gamma 75.530000000000001 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 116.796 7.996 . 0.0 OUTLIER . 74.400000000000006 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 3 C1'-O4'-C4' 116.784 7.983 . 0.158 1f . 74.329999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.805 8.006 . 0.084 1c . 65.129999999999995 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.736 7.929 . 0.074 5n . 74.219999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 C1'-O4'-C4' 116.796 7.996 . 0.514 1a . 74.140000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 O4'-C4'-C3' 94.06 -8.172 . 0.333 1a . 74.530000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 C1'-O4'-C4' 116.854 8.059 . 0.829 1a . 75.519999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.092 8.325 . 0.6 1a . 73.439999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.071 2 C1'-O4'-C4' 116.811 8.012 . 0.776 1a . 73.219999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 116.812 8.013 . 0.851 1a . 75.540000000000006 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.994 8.215 . 0.592 1a . 74.450000000000003 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 94.144 -8.112 . 0.736 1a . 72.010000000000005 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.803 8.004 . 0.624 1a . 75.329999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 1 C1'-O4'-C4' 113.712 4.569 . 0.0 OUTLIER . 74.200000000000003 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 1 O4'-C4'-C3' 90.699 -10.572 . 0.0 OUTLIER gamma 74.030000000000001 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.82 8.022 . 0.0 OUTLIER . 72.239999999999995 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 117.302 8.558 . 0.0 OUTLIER . 72.420000000000002 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 90.175 -10.946 . 0.565 1e . 72.239999999999995 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 91.575 -9.947 . 0.413 1a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 92.396 -9.36 . 0.387 1a . 71.099999999999994 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.896 8.106 . 0.549 1a . 71.310000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 117.308 8.565 . 0.165 1L . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 3 C1'-O4'-C4' 116.754 7.949 . 0.0 OUTLIER zeta-1 72.400000000000006 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 117.237 8.485 . 0.0 OUTLIER '7D dist &a' 74.519999999999996 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 3 C1'-O4'-C4' 116.999 8.221 . 0.0 OUTLIER . 74.450000000000003 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.769 7.966 . 0.456 1L . 72.230000000000004 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 C1'-O4'-C4' 117.092 8.324 . 0.46 1a . 75.219999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.828 8.031 . 0.384 1a . 75.409999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.793 7.992 . 0.242 1a . 75.209999999999994 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.778 7.976 . 0.01 1a . 73.219999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.841 8.045 . 0.0 OUTLIER zeta-1 71.030000000000001 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 C1'-O4'-C4' 116.786 7.985 . 0.35 1m . 75.349999999999994 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.069 8.299 . 0.354 1L . 64.510000000000005 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.753 7.947 . 0.12 1a . 74.540000000000006 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.488 " O2'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.401 3 O4'-C4'-C3' 92.401 -9.356 OUTLIER-EPSILON 0.0 OUTLIER . 74.030000000000001 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.488 ' OP1' " O2'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.309 -11.997 2 C5'-C4'-O4' 122.273 9.338 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 75.25 . . . . . . . . . . 5 4 . 1 . 008 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 1 O4'-C4'-C3' 89.966 -11.096 . 0.0 OUTLIER delta-1 75.299999999999997 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 117.043 8.27 . 0.0 OUTLIER gamma 74.409999999999997 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 2 O4'-C4'-C3' 92.685 -9.154 . 0.28 1L . 63.329999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 2 O4'-C4'-C3' 91.803 -9.784 . 0.165 1a . 73.519999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.979 -8.944 . 0.0 OUTLIER . 74.120000000000005 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.897 2 O4'-C4'-C3' 93.894 -8.29 . 0.01 1L . 74.340000000000003 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.797 7.997 . 0.741 1a . 73.209999999999994 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.746 7.94 . 0.0 OUTLIER '7D dist 3a' 75.120000000000005 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 93.986 -8.224 . 0.445 1a . 73.209999999999994 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.775 7.972 . 0.605 1a . 63.310000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.82 8.022 . 0.638 1a . 72.219999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 116.852 8.057 . 0.348 1a . 74.400000000000006 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 94.095 -8.146 . 0.748 1a . 72.109999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 117.136 8.374 . 0.638 1a . 74.239999999999995 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.765 7.961 . 0.655 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.546 -0.222 . . . . 45.030000000000001 112.546 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.1 95.21 5.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 73.040000000000006 110.876 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.06 20.89 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 61.229999999999997 111.131 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.73 131.28 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.140000000000001 110.833 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.36 -28.9 10.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 34.329999999999998 112.494 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.1 120.12 41.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 119.308 -0.377 . . . . 70.040000000000006 110.96 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.8 t -68.18 150.22 48.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 54.5 108.266 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.429 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 3.4 t80 -114.7 -24.83 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.001 -0.999 . . . . 74.25 110.887 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.0 m -64.54 -44.22 91.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 72.219999999999999 111.115 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.7 p -112.74 -38.16 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 34.140000000000001 108.259 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.29 34.73 4.11 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.024 -0.989 . . . . 62.210000000000001 112.488 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 t -98.7 120.47 58.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.676 0.751 . . . . 73.450000000000003 110.905 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 92.03 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.669 2.246 . . . . 72.349999999999994 112.373 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.23 -68.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 71.109999999999999 112.474 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -91.47 -172.15 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.744 0.306 . . . . 73.340000000000003 110.861 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.99 177.09 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 65.200000000000003 110.856 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.5 -44.58 56.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 72.150000000000006 110.924 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.27 52.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 62.210000000000001 111.108 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -124.9 31.52 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.439999999999998 110.909 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.3 t -83.22 120.78 76.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.773 1.273 . . . . 74.140000000000001 108.351 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -14.28 35.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 72.409999999999997 112.373 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -96.3 0.32 50.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 73.109999999999999 110.925 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.86 154.7 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 62.140000000000001 110.916 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.27 111.94 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 75.219999999999999 110.828 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -154.36 154.13 32.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.230000000000004 110.914 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -179.3 129.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 75.120000000000005 110.883 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 172.27 -176.08 45.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 75.150000000000006 112.423 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.05 157.57 46.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.33 . . . . 73.439999999999998 110.897 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.24 159.74 41.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 64.200000000000003 110.859 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -149.06 120.71 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 65.010000000000005 110.896 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 55.7 90.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 75.409999999999997 110.878 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.64 174.23 5.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 73.510000000000005 110.873 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.9 t -125.05 116.83 22.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 75.219999999999999 108.24 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' HB2' " H2'" ' B' ' 167' ' ' ' C' . 0.0 OUTLIER -94.88 28.77 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.997 -1.001 . . . . 75.010000000000005 110.904 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.829 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.64 -35.93 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.420000000000002 110.88 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.8 p -130.29 14.37 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 70.120000000000005 108.294 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 59.72 20.45 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.979 -1.009 . . . . 74.519999999999996 110.85 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.24 157.5 49.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 64.310000000000002 112.502 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.36 97.94 5.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 65.239999999999995 110.812 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.21 -57.9 0.49 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.778 -0.725 . . . . 43.420000000000002 112.564 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -86.12 -173.69 4.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.786 0.327 . . . . 71.049999999999997 110.855 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -117.42 150.39 38.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 72.120000000000005 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.829 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.54 -37.65 73.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 73.519999999999996 111.085 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -21.9 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 61.009999999999998 110.871 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -114.81 13.76 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 71.319999999999993 110.96 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.0 t -91.41 138.63 31.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 63.439999999999998 108.325 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 62.48 163.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.993 -1.003 . . . . 73.200000000000003 110.875 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.38 173.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 74.310000000000002 110.955 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.1 101.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 65.400000000000006 110.888 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.140000000000001 110.832 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 93.864 -8.312 . 0.0 '__' . 74.129999999999995 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.995 8.216 . 0.51 1a . 74.129999999999995 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 116.779 7.976 . 0.796 1a . 75.349999999999994 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 93.399 -8.644 . 0.791 1a . 73.310000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 93.381 -8.656 . 0.8 1a . 73.349999999999994 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 94.021 -8.199 . 0.693 1a . 72.549999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.845 2 C1'-O4'-C4' 117.162 8.402 . 0.868 1a . 72.230000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . 0.403 " H2'" ' HB2' ' A' ' 48' ' ' GLN . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.06 8.289 . 0.642 1a . 74.530000000000001 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 91.604 -9.926 . 0.0 OUTLIER gamma 73.409999999999997 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.101 8.335 . 0.0 OUTLIER . 74.230000000000004 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 O4'-C4'-C3' 93.092 -8.863 . 0.08 9a . 73.340000000000003 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.926 8.14 . 0.0 OUTLIER . 74.319999999999993 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.814 8.015 . 0.31 1a . 74.400000000000006 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 117.001 8.224 . 0.823 1a . 74.120000000000005 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 3 O4'-C4'-C3' 91.721 -9.842 . 0.785 1a . 73.319999999999993 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 1 O4'-C4'-C3' 90.331 -10.835 . 0.0 OUTLIER gamma 75.349999999999994 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.078 8.309 . 0.0 OUTLIER . 75.409999999999997 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.852 8.057 . 0.745 1a . 74.120000000000005 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 92.203 -9.498 . 0.778 1a . 71.540000000000006 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 92.168 -9.523 . 0.789 1a . 70.319999999999993 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 O4'-C4'-C3' 92.872 -9.02 . 0.645 1a . 74.5 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 117.134 8.371 . 0.04 1L . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 1 C1'-O4'-C4' 104.144 -6.062 OUTLIER-DELTA 0.01 1g . 71.430000000000007 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.983 8.203 . 0.0 OUTLIER . 74.409999999999997 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 93.808 -8.352 . 0.0 OUTLIER gamma 72.329999999999998 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 116.797 7.997 . 0.0 OUTLIER '7D dist 1c' 73.219999999999999 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 3 C1'-O4'-C4' 116.719 7.91 . 0.0 OUTLIER . 74.439999999999998 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 3 C1'-O4'-C4' 116.785 7.983 . 0.0 OUTLIER . 75.530000000000001 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.766 7.962 . 0.399 1a . 73.129999999999995 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.137 8.374 . 0.062 1a . 74.120000000000005 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 C1'-O4'-C4' 116.858 8.065 . 0.377 1a . 73.409999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 C1'-O4'-C4' 116.97 8.189 . 0.488 1a . 73.349999999999994 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.859 2 C1'-O4'-C4' 116.811 8.012 . 0.551 1a . 74.340000000000003 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.855 8.061 . 0.837 1a . 74.019999999999996 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 O4'-C4'-C3' 93.909 -8.28 . 0.638 1a . 74.400000000000006 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 117.053 8.281 . 0.486 1a . 75.349999999999994 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 C1'-O4'-C4' 116.778 7.976 . 0.261 1m . 75.109999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 92.104 -9.569 . 0.0 OUTLIER . 72.219999999999999 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 3 O4'-C4'-C3' 91.125 -10.268 . 0.0 OUTLIER . 72.549999999999997 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 116.926 8.14 . 0.0 OUTLIER . 73.319999999999993 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 117.214 8.46 . 0.0 OUTLIER '7D dist 5d' 75.230000000000004 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 90.174 -10.947 . 0.452 1e . 74.540000000000006 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 O4'-C4'-C3' 91.113 -10.276 . 0.54 1a . 75.439999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 O4'-C4'-C3' 92.763 -9.098 . 0.449 1a . 75.299999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.929 8.143 . 0.244 1a . 75.310000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.442 " H2'" ' C8 ' ' B' ' 206' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 117.333 8.592 . 0.122 1L . 73.239999999999995 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . 0.442 ' C8 ' " H2'" ' B' ' 205' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.835 8.038 . 0.0 OUTLIER zeta-1 75.329999999999998 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 117.223 8.47 . 0.0 OUTLIER . 73.150000000000006 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 3 C1'-O4'-C4' 116.904 8.116 . 0.0 OUTLIER . 64.540000000000006 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.808 8.009 . 0.455 1L . 75.409999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.897 8.108 . 0.477 1a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 116.826 8.028 . 0.608 1a . 64.439999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.782 7.98 . 0.466 1a . 74.200000000000003 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.867 8.074 . 0.396 1a . 74.030000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 116.762 7.958 . 0.0 OUTLIER zeta-1 74.519999999999996 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.737 7.93 . 0.656 1a . 74.549999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 C1'-O4'-C4' 117.302 8.558 . 0.096 1L . 74.400000000000006 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.986 2 O4'-C4'-C3' 92.699 -9.143 . 0.265 1L . 70.420000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.429 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 90.975 -10.375 . 0.0 OUTLIER . 74.120000000000005 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.414 ' C5 ' ' OP2' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.378 -6.255 1 C1'-O4'-C4' 116.062 7.18 . 0.0 OUTLIER gamma 75.430000000000007 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . 0.429 ' N7 ' " H2'" ' B' ' 218' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.872 1 O4'-C4'-C3' 91.196 -10.217 . 0.0 OUTLIER gamma 73.540000000000006 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.814 8.016 . 0.01 1a . 72.340000000000003 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 O4'-C4'-C3' 92.326 -9.41 . 0.288 1a . 72.209999999999994 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . 0.573 " O2'" " O5'" ' B' ' 224' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.318 2 C1'-O4'-C4' 117.785 9.094 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 75.099999999999994 . . . . . . . . . . 5 4 . 1 . 009 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . 0.573 " O5'" " O2'" ' B' ' 223' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.008 2 O4'-C4'-C3' 93.34 -8.686 . 0.0 OUTLIER epsilon-1 72.510000000000005 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 117.268 8.52 . 0.119 1L . 70.340000000000003 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 116.79 7.989 . 0.502 1a . 71.329999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 116.847 8.052 . 0.166 1m . 73.400000000000006 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 117.125 8.361 . 0.657 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.822 8.024 . 0.649 1a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.798 7.997 . 0.707 1a . 73.319999999999993 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.76 7.955 . 0.826 1a . 75.319999999999993 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 94.008 -8.208 . 0.893 1a . 74.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.074 8.304 . 0.681 1a . 75.140000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.794 7.993 . 0.487 1a . 75.530000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.438 -0.265 . . . . 51.039999999999999 112.438 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -92.41 -54.72 3.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 75.400000000000006 110.876 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.6 16.04 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.129999999999995 111.111 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 130.28 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 110.923 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.74 -28.71 13.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 60.549999999999997 112.541 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.6 112.84 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 119.285 -0.388 . . . . 73.140000000000001 110.912 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 t -71.58 146.84 48.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 51.310000000000002 108.285 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.475 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 3.9 t80 -111.93 -24.7 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.038 -0.983 . . . . 73.310000000000002 110.901 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -65.59 -40.8 93.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 73.120000000000005 111.1 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.0 p -112.62 -39.0 4.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 61.130000000000003 108.279 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.42 38.34 3.29 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.035 -0.984 . . . . 63.25 112.507 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.83 129.56 23.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.733 0.778 . . . . 52.240000000000002 110.844 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 170.53 16.43 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.584 2.19 . . . . 71.540000000000006 112.34 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.37 -18.36 57.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 41.140000000000001 112.551 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -154.46 171.52 19.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 64.219999999999999 110.88 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.99 179.3 5.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.226 -0.443 . . . . 71.150000000000006 110.869 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.98 -43.52 40.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 75.209999999999994 110.87 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.19 -31.4 65.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 45.130000000000003 111.085 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -117.52 29.65 7.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 74.099999999999994 110.836 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 t -77.89 124.73 86.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.774 1.273 . . . . 54.539999999999999 108.344 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.79 -10.57 28.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 73.310000000000002 112.28 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -100.79 0.39 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.109999999999999 110.853 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.38 101.36 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 74.209999999999994 110.912 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -58.19 152.95 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 73.510000000000005 110.846 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -171.37 -50.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 63.229999999999997 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.67 164.08 6.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 53.329999999999998 110.861 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -109.34 -61.24 0.52 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 51.420000000000002 112.438 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.39 -179.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 74.120000000000005 110.832 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -162.51 71.5 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 70.219999999999999 110.859 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -151.66 145.54 25.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.230000000000004 110.872 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.43 111.14 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 72.319999999999993 110.92 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -101.66 173.54 6.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 64.140000000000001 110.825 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -124.48 117.17 23.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 70.430000000000007 108.309 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -94.99 28.55 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.956 -1.02 . . . . 75.409999999999997 110.94 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.84 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.53 -36.19 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 70.209999999999994 110.955 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.0 p -129.93 14.53 5.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 41.009999999999998 108.269 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 59.41 20.67 9.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.003 -0.999 . . . . 75.430000000000007 110.886 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.04 157.49 48.85 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 62.439999999999998 112.47 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -124.07 97.87 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 61.100000000000001 110.891 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.0 -57.31 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 40.240000000000002 112.466 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -87.18 -173.57 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 45.140000000000001 110.888 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -118.31 151.22 38.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 74.310000000000002 110.937 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.84 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -58.09 -35.23 71.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 65.239999999999995 111.081 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -22.28 66.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 73.129999999999995 110.891 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -115.61 14.9 16.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 73.239999999999995 110.901 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.3 t -92.35 136.26 33.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 61.109999999999999 108.37 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 52.11 61.28 3.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.049 -0.978 . . . . 71.329999999999998 110.861 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -138.44 154.53 48.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 72.439999999999998 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -148.53 91.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 72.040000000000006 110.874 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 72.230000000000004 110.852 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 O4'-C4'-C3' 94.152 -8.106 . 0.0 '__' . 74.340000000000003 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 94.213 -8.062 . 0.654 1a . 70.530000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 116.819 8.021 . 0.783 1a . 73.239999999999995 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 93.458 -8.602 . 0.822 1a . 71.340000000000003 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 94.108 -8.137 . 0.745 1a . 74.219999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 O4'-C4'-C3' 93.693 -8.433 . 0.787 1a . 72.239999999999995 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.861 8.068 . 0.853 1a . 74.040000000000006 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 92.767 -9.095 . 0.778 1a . 74.239999999999995 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 O4'-C4'-C3' 93.557 -8.531 . 0.0 OUTLIER . 73.439999999999998 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.856 8.062 . 0.0 OUTLIER . 72.230000000000004 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.163 8.403 . 0.185 9a . 73.239999999999995 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.018 2 O4'-C4'-C3' 93.885 -8.297 . 0.0 OUTLIER gamma 74.349999999999994 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 116.878 8.087 . 0.01 1a . 73.310000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 117.053 8.281 . 0.842 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 93.304 -8.711 . 0.656 1a . 75.230000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 90.931 -10.406 . 0.0 OUTLIER . 72.540000000000006 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 117.232 8.48 . 0.0 OUTLIER zeta-1 74.430000000000007 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.844 8.049 . 0.657 1a . 74.230000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 C1'-O4'-C4' 117.134 8.371 . 0.845 1a . 74.340000000000003 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.216 8.463 . 0.744 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 O4'-C4'-C3' 93.489 -8.579 . 0.649 1a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 117.237 8.485 . 0.046 1L . 71.109999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 91.628 -9.909 . 0.0 OUTLIER . 74.25 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 O4'-C4'-C3' 91.448 -10.037 . 0.0 OUTLIER gamma 74.310000000000002 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 90.582 -10.655 . 0.0 OUTLIER . 72.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.853 8.059 . 0.0 OUTLIER . 74.219999999999999 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.76 7.956 . 0.0 OUTLIER . 74.019999999999996 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 116.864 8.071 . 0.0 OUTLIER . 74.510000000000005 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.842 8.047 . 0.476 1a . 74.299999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 117.197 8.441 . 0.063 1a . 75.099999999999994 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.803 8.004 . 0.731 1a . 75.109999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 93.911 -8.278 . 0.869 1a . 72.549999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 116.783 7.981 . 0.617 1a . 64.25 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 116.826 8.029 . 0.863 1a . 73.040000000000006 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 C1'-O4'-C4' 117.112 8.347 . 0.609 1a . 74.400000000000006 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 O4'-C4'-C3' 93.817 -8.345 . 0.64 1a . 73.430000000000007 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.798 7.998 . 0.676 1a . 72.010000000000005 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 1 O4'-C4'-C3' 90.732 -10.548 . 0.0 OUTLIER . 73.040000000000006 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 1 O4'-C4'-C3' 90.864 -10.454 . 0.0 OUTLIER gamma 75.239999999999995 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.803 8.003 . 0.0 OUTLIER . 73.430000000000007 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.198 8.442 . 0.0 OUTLIER . 75.019999999999996 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 90.215 -10.918 . 0.452 1e . 73.319999999999993 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 O4'-C4'-C3' 92.532 -9.263 . 0.329 1a . 75.530000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.231 8.478 . 0.242 1a . 73.049999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 116.863 8.07 . 0.69 1a . 73.5 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.219 8.465 . 0.276 1L . 75.530000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 3 C1'-O4'-C4' 116.856 8.063 . 0.0 OUTLIER zeta-1 73.150000000000006 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.254 8.505 . 0.0 OUTLIER . 74.319999999999993 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 3 C1'-O4'-C4' 117.133 8.37 . 0.0 OUTLIER . 74.430000000000007 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 116.797 7.997 . 0.449 1L . 74.400000000000006 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 117.043 8.27 . 0.33 1a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 116.837 8.041 . 0.328 1a . 75.310000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.828 8.032 . 0.233 1a . 70.409999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 3 O4'-C4'-C3' 94.28 -8.014 . 0.657 1a . 64.010000000000005 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.869 8.076 . 0.018 1m . 74.319999999999993 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 94.025 -8.197 . 0.552 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 92.245 -9.468 . 0.451 1L . 71.409999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.709 7.899 . 0.0 OUTLIER gamma 73.340000000000003 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.475 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 O4'-C4'-C3' 92.142 -9.542 . 0.0 OUTLIER gamma 74.540000000000006 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.314 -11.603 1 C5'-C4'-O4' 118.421 6.587 OUTLIER-DELTA 0.0 OUTLIER delta 75.430000000000007 . . . . . . . . . . 4 3 . 1 . 010 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 89.956 -11.103 . 0.0 OUTLIER delta-1 73.450000000000003 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.838 2 C1'-O4'-C4' 117.076 8.307 . 0.419 1L . 74.299999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 1 O4'-C4'-C3' 91.245 -10.182 . 0.733 1L . 63.219999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . 0.594 " O2'" " O5'" ' B' ' 224' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.398 -4.562 2 O4'-C4'-C3' 94.336 -7.974 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 71.239999999999995 . . . . . . . . . . 5 4 . 1 . 010 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . 0.594 " O5'" " O2'" ' B' ' 223' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 92.568 -9.237 . 0.0 OUTLIER epsilon-1 64.310000000000002 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 93.922 -8.27 . 0.01 1L . 75.510000000000005 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.861 8.068 . 0.346 1a . 75.340000000000003 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 116.77 7.967 . 0.01 9a . 73.310000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.874 8.082 . 0.757 1a . 74.209999999999994 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.775 7.973 . 0.351 1a . 74.200000000000003 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.801 8.001 . 0.762 1a . 72.409999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.842 8.046 . 0.769 1a . 75.310000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 93.456 -8.603 . 0.731 1a . 74.019999999999996 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.11 8.345 . 0.68 1a . 71.530000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 C1'-O4'-C4' 116.798 7.998 . 0.716 1a . 71.439999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.508 -0.237 . . . . 73.230000000000004 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -52.94 -70.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 71.109999999999999 110.885 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.73 14.72 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.329999999999998 111.139 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 128.52 24.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.430000000000007 110.94 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.61 -27.95 16.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.789 -0.72 . . . . 74.150000000000006 112.505 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.68 124.57 48.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 119.288 -0.387 . . . . 53.030000000000001 110.922 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.1 t -73.44 150.47 41.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 74.150000000000006 108.295 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.1 t80 -115.69 -24.22 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.002 -0.999 . . . . 73.200000000000003 110.891 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.3 m -65.22 -43.46 91.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 51.340000000000003 111.154 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -112.69 -38.07 4.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 72.450000000000003 108.249 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.6 35.03 3.92 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.075 -0.966 . . . . 75.329999999999998 112.472 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.58 119.57 59.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 75.299999999999997 110.848 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 92.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.757 2.304 . . . . 53.240000000000002 112.336 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.89 -67.1 0.2 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 41.439999999999998 112.514 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -92.83 -172.7 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 74.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.18 177.7 7.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 73.150000000000006 110.963 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -50.28 -43.14 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.040000000000006 110.881 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.26 -29.47 63.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 74.349999999999994 111.083 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -119.26 28.28 8.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 54.130000000000003 110.997 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.0 t -84.2 124.16 74.4 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 122.804 1.287 . . . . 61.149999999999999 108.278 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -12.52 33.05 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.672 2.248 . . . . 72.030000000000001 112.301 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.62 0.7 45.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 74.099999999999994 110.906 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.78 104.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.129999999999995 110.88 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.13 77.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 72.510000000000005 110.882 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.6 -64.67 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 72.129999999999995 110.905 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.5 m -73.49 165.25 25.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 65.310000000000002 110.761 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.48 118.16 1.78 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 73.349999999999994 112.459 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -98.11 106.83 19.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 73.040000000000006 110.887 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.3 m -118.98 -37.77 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 53.399999999999999 110.861 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.49 34.29 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 74.420000000000002 110.881 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -156.45 32.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 110.929 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -102.16 172.72 6.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.07 -0.514 . . . . 72.209999999999994 110.876 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -123.44 117.38 25.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 72.230000000000004 108.288 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.27 28.66 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.995 -1.002 . . . . 74.150000000000006 110.845 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.813 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.78 -36.1 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.319999999999993 110.929 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.94 14.47 5.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 72.030000000000001 108.362 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.39 20.68 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.966 -1.015 . . . . 75.010000000000005 110.912 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.77 158.47 47.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.784 -0.722 . . . . 64.25 112.542 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 ttt -125.06 97.93 5.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.894 0.378 . . . . 74.349999999999994 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.73 -57.46 0.5 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 72.400000000000006 112.514 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -86.83 -173.67 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 73.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -118.12 151.63 37.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.430000000000007 110.935 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.813 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.6 -37.11 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 51.509999999999998 111.021 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -62.17 -22.15 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 64.530000000000001 110.882 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -116.46 16.31 15.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 73.349999999999994 110.947 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.98 118.91 29.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 75.420000000000002 108.415 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -76.36 165.71 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.078 -0.965 . . . . 71.140000000000001 110.891 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -107.87 -65.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 72.109999999999999 110.883 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 ttp85 -172.22 -73.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 63.200000000000003 110.843 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 O4'-C4'-C3' 93.81 -8.35 . 0.0 '__' . 72.430000000000007 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.95 8.166 . 0.62 1a . 71.340000000000003 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 116.785 7.983 . 0.554 1a . 74.310000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 117.124 8.36 . 0.581 1a . 74.540000000000006 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 O4'-C4'-C3' 93.845 -8.325 . 0.79 1a . 65.319999999999993 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 93.057 -8.888 . 0.781 1a . 73.540000000000006 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.957 8.174 . 0.7 1a . 72.219999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.866 2 C1'-O4'-C4' 116.937 8.152 . 0.741 1a . 74.519999999999996 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.186 8.429 . 0.0 OUTLIER alpha 73.319999999999993 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 116.824 8.026 . 0.0 OUTLIER gamma 72.400000000000006 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.055 2 O4'-C4'-C3' 94.154 -8.104 . 0.0 OUTLIER '7D dist 3a' 73.530000000000001 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.018 2 O4'-C4'-C3' 92.928 -8.98 . 0.0 OUTLIER . 74.129999999999995 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 116.765 7.961 . 0.73 1a . 75.040000000000006 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 C1'-O4'-C4' 117.226 8.473 . 0.705 1a . 74.430000000000007 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.964 8.182 . 0.623 1a . 71.430000000000007 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 91.503 -9.998 . 0.0 OUTLIER . 74.450000000000003 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 116.929 8.143 . 0.0 OUTLIER . 74.400000000000006 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.736 7.929 . 0.544 1a . 72.409999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 93.852 -8.32 . 0.576 1a . 74.340000000000003 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.868 2 C1'-O4'-C4' 117.177 8.419 . 0.639 1a . 73.120000000000005 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.824 3 O4'-C4'-C3' 93.421 -8.628 . 0.655 1a . 73.299999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 117.245 8.495 . 0.036 1L . 74.109999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.831 1 O4'-C4'-C3' 90.741 -10.542 . 0.0 OUTLIER gamma 72.109999999999999 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 116.526 7.695 . 0.0 OUTLIER gamma 65.209999999999994 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.849 2 O4'-C4'-C3' 91.659 -9.886 . 0.0 OUTLIER . 75.239999999999995 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.793 7.993 . 0.0 OUTLIER gamma 64.310000000000002 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 116.858 8.065 . 0.0 OUTLIER zeta-1 72.109999999999999 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 C1'-O4'-C4' 116.776 7.973 . 0.0 OUTLIER . 70.310000000000002 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 116.82 8.022 . 0.442 1a . 73.450000000000003 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.159 8.399 . 0.083 1a . 73.310000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 116.884 8.093 . 0.682 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 117.154 8.393 . 0.142 1a . 75.140000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 116.847 8.052 . 0.156 1a . 72.319999999999993 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.822 8.025 . 0.718 1a . 72.450000000000003 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 117.191 8.434 . 0.149 1a . 74.530000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 94.05 -8.179 . 0.69 1a . 74.230000000000004 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.818 8.02 . 0.01 1a . 74.450000000000003 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.675 7.861 . 0.0 OUTLIER . 71.120000000000005 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 92.133 -9.548 . 0.0 OUTLIER gamma 74.340000000000003 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 C1'-O4'-C4' 116.857 8.064 . 0.0 OUTLIER gamma 74.109999999999999 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.038 2 C1'-O4'-C4' 117.208 8.454 . 0.0 OUTLIER '7D dist 3g wannabe' 75.25 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 91.038 -10.33 . 0.0 OUTLIER . 52.240000000000002 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 O4'-C4'-C3' 92.576 -9.232 . 0.439 1a . 73.239999999999995 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 94.21 -8.064 . 0.329 1a . 73.129999999999995 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.905 8.117 . 0.6 1a . 74.310000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 117.24 8.489 . 0.105 1L . 74.439999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.832 8.036 . 0.0 OUTLIER . 75.219999999999999 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.06 2 C1'-O4'-C4' 117.278 8.532 . 0.0 OUTLIER . 70.129999999999995 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 92.678 -9.159 . 0.0 OUTLIER . 72.430000000000007 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.833 8.037 . 0.0 OUTLIER zeta-1 72.109999999999999 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 O4'-C4'-C3' 93.906 -8.282 . 0.503 1a . 73.140000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 116.745 7.939 . 0.823 1a . 72.049999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.775 7.972 . 0.522 1a . 72.340000000000003 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.8 7.999 . 0.405 1a . 73.519999999999996 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 116.78 7.978 . 0.0 OUTLIER zeta-1 75.129999999999995 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.833 8.037 . 0.01 1m . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 117.427 8.696 . 0.284 1L . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.034 2 C1'-O4'-C4' 117.614 8.904 . 0.383 1a . 72.439999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.427 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -2.03 3 O4'-C4'-C3' 93.824 -8.34 . 0.351 1g . 65.030000000000001 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.606 " O2'" ' OP2' ' B' ' 220' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.361 -7.631 2 C1'-O4'-C4' 118.575 9.973 OUTLIER-EPSILON 0.163 3g . 73.010000000000005 . . . . . . . . . . 4 3 . 1 . 011 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . 0.606 ' OP2' " O2'" ' B' ' 219' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.9 1 O4'-C4'-C3' 91.73 -9.835 . 0.0 OUTLIER epsilon-1 72.319999999999993 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 O4'-C4'-C3' 93.187 -8.795 . 0.0 OUTLIER gamma 75.150000000000006 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 O4'-C4'-C3' 92.129 -9.551 . 0.166 1L . 71.099999999999994 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 1 O4'-C4'-C3' 91.517 -9.988 . 0.164 1a . 75.019999999999996 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 2 C1'-O4'-C4' 116.628 7.809 . 0.0 OUTLIER '7D dist 5n wannabe' 73.329999999999998 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 117.322 8.58 . 0.0 OUTLIER '7D dist 1a' 74.239999999999995 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 116.77 7.967 . 0.429 1a . 73.349999999999994 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.058 2 C1'-O4'-C4' 116.806 8.006 . 0.0 OUTLIER . 72.439999999999998 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 C1'-O4'-C4' 117.161 8.401 . 0.726 1a . 74.140000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.833 8.036 . 0.725 1a . 71.519999999999996 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.831 8.034 . 0.608 1a . 72.430000000000007 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.804 8.004 . 0.762 1a . 73.510000000000005 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 94.175 -8.089 . 0.775 1a . 70.430000000000007 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.97 8.189 . 0.495 1a . 73.25 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.815 8.017 . 0.815 1a . 74.400000000000006 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.563 -0.215 . . . . 45.030000000000001 112.563 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -82.52 146.72 29.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 74.400000000000006 110.884 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.16 17.32 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 75.310000000000002 111.111 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 135.0 28.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 71.120000000000005 110.815 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.09 -22.63 39.68 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 61.200000000000003 112.468 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.18 122.86 47.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.319 -0.372 . . . . 74.439999999999998 110.876 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.1 t -69.45 150.67 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 71.120000000000005 108.306 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.41 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.0 t80 -116.14 -23.82 8.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.022 -0.99 . . . . 75.219999999999999 110.879 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 m -66.07 -43.49 87.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.230000000000004 111.157 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.0 p -111.73 -37.97 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 73.120000000000005 108.276 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.02 35.27 4.02 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.026 -0.988 . . . . 73.120000000000005 112.462 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 t -100.59 119.07 59.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.646 0.736 . . . . 60.240000000000002 110.862 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 94.27 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 73.200000000000003 112.359 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.7 -65.7 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 70.340000000000003 112.51 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -94.41 -174.19 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 74.310000000000002 110.867 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.6 176.6 8.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 75.230000000000004 110.94 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -51.51 -42.84 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 51.399999999999999 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.25 61.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 61.420000000000002 111.077 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -122.93 26.22 8.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 71.230000000000004 110.903 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -81.11 124.14 81.3 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 122.775 1.274 . . . . 74.340000000000003 108.361 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -12.11 32.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.654 2.236 . . . . 53.030000000000001 112.326 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -98.75 0.58 44.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 74.439999999999998 110.891 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -62.87 1.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 75.430000000000007 110.927 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.27 -175.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 72.430000000000007 110.907 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -93.33 137.31 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 74.0 110.999 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.4 t -175.02 123.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 70.219999999999999 110.846 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.5 175.44 26.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.807 -0.711 . . . . 62.450000000000003 112.481 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -174.46 161.48 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 34.240000000000002 110.824 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.03 175.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 72.430000000000007 110.878 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.5 42.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 71.519999999999996 110.86 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -129.5 -66.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.430000000000007 110.868 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -98.86 168.06 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 54.119999999999997 110.958 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.8 t -118.46 118.26 31.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 74.510000000000005 108.349 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.23 31.43 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.016 -0.993 . . . . 63.5 110.928 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.75 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -129.27 -35.47 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.219999999999999 110.848 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 p -131.25 14.9 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 61.539999999999999 108.273 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.9 t30 59.17 20.65 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.981 -1.009 . . . . 71.430000000000007 110.932 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.83 160.21 38.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.786 -0.721 . . . . 72.219999999999999 112.487 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.01 95.32 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.331 . . . . 71.349999999999994 110.897 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.57 -57.93 0.48 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.723 -0.751 . . . . 74.310000000000002 112.449 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -86.41 -173.15 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 73.230000000000004 110.863 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -120.02 153.19 36.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 74.510000000000005 110.816 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.75 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.57 -42.99 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 71.510000000000005 111.118 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -21.61 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 71.400000000000006 110.894 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -121.8 24.91 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 64.349999999999994 110.892 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.2 t -80.63 89.08 5.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 74.239999999999995 108.25 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.57 -47.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.996 -1.002 . . . . 64.329999999999998 110.848 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.42 179.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 64.409999999999997 110.875 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.75 158.33 44.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 74.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.310000000000002 110.835 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.874 8.082 . 0.0 '__' . 73.230000000000004 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 C1'-O4'-C4' 117.18 8.422 . 0.784 1a . 73.349999999999994 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.803 8.003 . 0.746 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 92.457 -9.316 . 0.751 1a . 73.400000000000006 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 92.955 -8.961 . 0.788 1a . 75.430000000000007 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 93.197 -8.788 . 0.851 1a . 63.43 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 117.043 8.27 . 0.617 1a . 72.299999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 C1'-O4'-C4' 117.127 8.363 . 0.253 1a . 64.239999999999995 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.181 1 C1'-O4'-C4' 104.395 -5.783 OUTLIER-DELTA 0.0 OUTLIER . 74.129999999999995 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 90.613 -10.634 . 0.0 OUTLIER . 75.209999999999994 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 O4'-C4'-C3' 92.32 -9.414 . 0.01 3a . 73.109999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.27 8.523 . 0.132 1a . 64.209999999999994 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 C1'-O4'-C4' 116.846 8.051 . 0.625 1a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 117.139 8.376 . 0.538 1a . 74.549999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.845 2 O4'-C4'-C3' 94.063 -8.169 . 0.694 1a . 75.010000000000005 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.856 8.062 . 0.0 OUTLIER gamma 74.420000000000002 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.983 8.204 . 0.0 OUTLIER . 74.349999999999994 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 116.753 7.947 . 0.553 1a . 75.430000000000007 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 93.963 -8.241 . 0.673 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 117.183 8.426 . 0.276 1a . 74.319999999999993 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 O4'-C4'-C3' 93.503 -8.569 . 0.635 1a . 75.430000000000007 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 117.241 8.491 . 0.025 1L . 74.239999999999995 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.617 7.796 . 0.0 OUTLIER gamma 73.25 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 1 C1'-O4'-C4' 104.296 -5.894 OUTLIER-DELTA 0.0 OUTLIER . 74.120000000000005 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 1 O4'-C4'-C3' 90.286 -10.867 . 0.0 OUTLIER . 70.329999999999998 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.858 8.065 . 0.0 OUTLIER . 73.129999999999995 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.827 8.03 . 0.0 OUTLIER . 74.129999999999995 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.801 8.001 . 0.0 OUTLIER . 72.040000000000006 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.793 7.993 . 0.491 1a . 75.230000000000004 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 94.133 -8.119 . 0.347 1a . 74.140000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 C1'-O4'-C4' 116.803 8.003 . 0.258 1a . 74.439999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 117.088 8.32 . 0.342 1a . 74.549999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 C1'-O4'-C4' 116.804 8.005 . 0.607 1a . 73.230000000000004 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.055 2 C1'-O4'-C4' 116.801 8.001 . 0.593 1a . 75.510000000000005 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.202 8.446 . 0.502 1a . 73.510000000000005 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.896 8.107 . 0.647 1a . 73.109999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.778 7.975 . 0.011 1a . 74.040000000000006 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 3 C1'-O4'-C4' 117.161 8.401 . 0.0 OUTLIER . 74.530000000000001 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . 0.608 " H2'" " H1'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.061 1 O4'-C4'-C3' 90.097 -11.002 . 0.0 OUTLIER gamma 75.040000000000006 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.954 8.171 . 0.0 OUTLIER . 70.129999999999995 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . 0.608 " H1'" " H2'" ' B' ' 198' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.491 3.151 2 C1'-O4'-C4' 114.715 5.683 . 0.0 OUTLIER . 74.329999999999998 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 93.885 -8.297 . 0.0 OUTLIER gamma 72.120000000000005 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.191 -8.792 . 0.666 1a . 75.439999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 94.2 -8.072 . 0.626 1a . 74.209999999999994 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 116.893 8.104 . 0.649 1a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.254 8.504 . 0.156 1L . 75.010000000000005 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.791 7.99 . 0.0 OUTLIER gamma 74.519999999999996 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.409 " H4'" ' C6 ' ' B' ' 209' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 C1'-O4'-C4' 117.206 8.452 . 0.0 OUTLIER . 74.019999999999996 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 3 C1'-O4'-C4' 116.867 8.074 . 0.0 OUTLIER . 71.409999999999997 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.409 ' C6 ' " H4'" ' B' ' 207' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.804 8.005 . 0.43 1L . 75.239999999999995 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.064 2 C1'-O4'-C4' 116.984 8.204 . 0.42 1a . 74.230000000000004 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 116.778 7.975 . 0.253 1a . 70.409999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.88 8.088 . 0.277 1a . 64.040000000000006 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.844 8.049 . 0.381 1a . 70.120000000000005 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.867 2 C1'-O4'-C4' 116.836 8.04 . 0.0 OUTLIER . 70.530000000000001 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.556 7.729 . 0.333 1a . 73.109999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 94.155 -8.103 . 0.101 1a . 74.329999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 117.285 8.538 . 0.0 OUTLIER gamma 74.109999999999999 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.41 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 O4'--C4' 1.427 -2.149 2 O4'-C4'-C3' 91.947 -9.681 OUTLIER-EPSILON 0.0 OUTLIER gamma 71.209999999999994 . . . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.403 ' OP2' " C5'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.384 -5.739 2 C1'-O4'-C4' 118.119 9.466 . 0.0 OUTLIER epsilon-1 71.239999999999995 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 1 O4'-C4'-C3' 91.237 -10.188 . 0.0 OUTLIER gamma 72.109999999999999 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.651 7.834 . 0.011 1L . 74.120000000000005 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 2 O4'-C4'-C3' 92.832 -9.048 . 0.0 OUTLIER gamma 71.200000000000003 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 1 O4'-C4'-C3' 91.61 -9.921 . 0.171 1a . 74.510000000000005 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 2 C1'-O4'-C4' 116.666 7.851 . 0.01 5n . 64.340000000000003 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 117.154 8.393 . 0.019 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 3 C1'-O4'-C4' 116.726 7.918 . 0.157 1a . 75.530000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 116.744 7.938 . 0.115 1L . 70.540000000000006 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 93.018 -8.916 . 0.328 1a . 75.299999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 116.829 8.032 . 0.164 1a . 72.25 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.847 8.052 . 0.173 1a . 74.120000000000005 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 116.84 8.044 . 0.459 1a . 75.140000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 94.04 -8.186 . 0.779 1a . 61.520000000000003 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.269 8.521 . 0.349 1a . 75.030000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 116.794 7.993 . 0.746 1a . 64.400000000000006 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.513 -0.235 . . . . 45.030000000000001 112.513 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.2 -75.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.806 0.336 . . . . 70.349999999999994 110.902 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.89 16.31 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 63.509999999999998 111.08 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.61 129.75 40.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 74.239999999999995 110.865 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.65 -23.33 36.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 55.0 112.535 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.23 118.67 37.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 119.31 -0.376 . . . . 54.43 110.874 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -67.43 150.4 48.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 62.219999999999999 108.358 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.411 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.6 t80 -115.51 -24.25 8.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.113 -0.949 . . . . 64.349999999999994 110.967 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.5 m -65.45 -43.98 88.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 64.340000000000003 111.194 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.6 -38.02 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 75.140000000000001 108.254 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.39 34.95 4.01 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.018 -0.992 . . . . 22.120000000000001 112.482 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.47 118.28 62.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.758 . . . . 62.119999999999997 110.887 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 90.24 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.651 2.234 . . . . 74.040000000000006 112.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.07 -63.38 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.821 -0.704 . . . . 64.299999999999997 112.54 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -96.99 -173.92 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 52.32 110.849 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.04 176.13 8.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 75.140000000000001 110.861 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.4 -42.87 61.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 54.130000000000003 110.88 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.68 -25.32 62.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 65.140000000000001 111.07 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -121.65 26.12 8.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 71.040000000000006 110.913 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -81.34 124.21 80.71 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 122.793 1.282 . . . . 73.239999999999995 108.34 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -12.2 32.36 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.677 2.251 . . . . 63.32 112.379 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -97.8 0.04 46.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 64.329999999999998 110.874 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 115.49 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 110.845 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -75.74 -73.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.230000000000004 110.809 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.04 -74.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 54.100000000000001 110.875 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -179.2 -74.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 63.200000000000003 110.875 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.54 -28.83 10.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 75.239999999999995 112.551 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -170.97 172.45 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 64.239999999999995 110.871 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.35 178.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 64.540000000000006 110.823 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.67 -66.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 71.439999999999998 110.873 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -122.9 27.94 7.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.299999999999997 110.96 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -101.14 167.92 9.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.476 . . . . 72.120000000000005 110.835 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.4 t -118.74 118.6 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 62.200000000000003 108.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.11 31.62 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.93 -1.032 . . . . 64.310000000000002 110.889 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.751 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -129.82 -35.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 74.25 110.895 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 p -131.71 14.84 4.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 34.030000000000001 108.302 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 58.95 20.88 8.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.959 -1.019 . . . . 74.219999999999999 110.91 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.14 157.75 39.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 74.420000000000002 112.488 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.0 ttm -123.5 94.08 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 63.219999999999999 110.896 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.27 -56.91 0.48 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 74.329999999999998 112.468 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -88.03 -172.93 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.757 0.313 . . . . 74.329999999999998 110.852 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.32 154.14 36.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 74.049999999999997 110.846 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.751 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.67 -42.83 75.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 64.340000000000003 111.133 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -59.68 -22.33 61.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 61.240000000000002 110.865 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -122.86 26.22 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 61.130000000000003 110.867 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.4 t -80.44 118.95 22.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 73.150000000000006 108.319 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 56.0 -177.33 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.031 -0.986 . . . . 63.450000000000003 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt 60.51 55.28 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 72.109999999999999 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -142.51 -68.69 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 74.140000000000001 110.868 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 74.209999999999994 110.898 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 117.044 8.271 . 0.0 '__' . 73.349999999999994 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.921 8.135 . 0.731 1a . 73.120000000000005 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.841 8.046 . 0.663 1a . 75.340000000000003 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 117.25 8.5 . 0.689 1a . 74.519999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.043 2 C1'-O4'-C4' 117.222 8.469 . 0.703 1a . 73.040000000000006 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.804 2 O4'-C4'-C3' 93.412 -8.634 . 0.639 1a . 73.420000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.886 8.095 . 0.698 1a . 65.140000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 117.003 8.226 . 0.531 1a . 74.439999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 1 O4'-C4'-C3' 90.162 -10.955 . 0.0 OUTLIER gamma 75.530000000000001 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 3 C1'-O4'-C4' 116.831 8.034 . 0.0 OUTLIER . 71.439999999999998 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 C1'-O4'-C4' 116.915 8.127 . 0.101 9a . 75.5 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 92.971 -8.949 . 0.0 OUTLIER gamma 74.409999999999997 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.843 8.048 . 0.023 1a . 75.409999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 3 O4'-C4'-C3' 93.669 -8.451 . 0.642 1a . 74.530000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 O4'-C4'-C3' 92.63 -9.193 . 0.687 1a . 74.219999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 3 O4'-C4'-C3' 92.617 -9.202 . 0.01 3g . 73.239999999999995 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.864 8.071 . 0.0 OUTLIER zeta-1 74.310000000000002 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 116.805 8.006 . 0.131 1a . 75.549999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 117.005 8.228 . 0.767 1a . 71.420000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 O4'-C4'-C3' 93.934 -8.261 . 0.638 1a . 71.540000000000006 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.868 3 O4'-C4'-C3' 93.472 -8.592 . 0.633 1a . 71.409999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.263 8.515 . 0.019 1L . 73.010000000000005 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.094 2 C1'-O4'-C4' 117.109 8.344 . 0.0 OUTLIER . 75.340000000000003 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 93.548 -8.537 . 0.0 OUTLIER . 74.510000000000005 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.033 1 O4'-C4'-C3' 90.673 -10.591 . 0.0 OUTLIER . 72.349999999999994 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 116.783 7.981 . 0.0 OUTLIER gamma 61.140000000000001 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 C1'-O4'-C4' 116.845 8.05 . 0.012 7d . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 116.828 8.031 . 0.0 OUTLIER . 74.230000000000004 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 C1'-O4'-C4' 116.821 8.023 . 0.445 1a . 75.420000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 116.899 8.11 . 0.275 1a . 71.510000000000005 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.812 2 C1'-O4'-C4' 116.804 8.005 . 0.75 1a . 71.200000000000003 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.072 2 O4'-C4'-C3' 94.207 -8.067 . 0.453 1a . 74.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.061 2 C1'-O4'-C4' 116.803 8.003 . 0.753 1a . 75.140000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.78 7.978 . 0.832 1a . 73.510000000000005 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 3 C1'-O4'-C4' 116.817 8.019 . 0.3 1a . 75.519999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 O4'-C4'-C3' 92.374 -9.376 . 0.345 1a . 74.209999999999994 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 O4'-C4'-C3' 93.859 -8.315 . 0.019 1a . 74.430000000000007 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 3 O4'-C4'-C3' 92.397 -9.359 . 0.012 3a . 75.430000000000007 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . 0.491 " H2'" " H1'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.926 1 C1'-O4'-C4' 103.442 -6.842 OUTLIER-DELTA 0.0 OUTLIER . 74.109999999999999 . . . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 116.72 7.911 . 0.0 OUTLIER . 73.099999999999994 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . 0.491 " H1'" " H2'" ' B' ' 198' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.485 2.679 2 C1'-O4'-C4' 115.234 6.26 . 0.0 OUTLIER . 71.530000000000001 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . 0.431 " H4'" " O3'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.549 -9.251 . 0.051 1e . 74.150000000000006 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.991 8.212 . 0.566 1a . 74.209999999999994 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.834 8.037 . 0.737 1a . 73.120000000000005 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 C1'-O4'-C4' 116.898 8.109 . 0.673 1a . 75.409999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 117.184 8.426 . 0.302 1L . 74.129999999999995 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.835 3 C1'-O4'-C4' 116.798 7.998 . 0.0 OUTLIER zeta-1 74.120000000000005 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.866 2 C1'-O4'-C4' 117.242 8.491 . 0.0 OUTLIER . 74.219999999999999 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.87 3 C1'-O4'-C4' 117.137 8.375 . 0.0 OUTLIER . 75.099999999999994 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.842 8.047 . 0.45 1L . 74.329999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 C1'-O4'-C4' 117.039 8.265 . 0.226 1a . 71.230000000000004 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.797 7.996 . 0.278 1a . 74.519999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.863 8.07 . 0.104 1a . 74.439999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.799 7.999 . 0.641 1a . 73.450000000000003 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.558 7.731 . 0.137 1m . 70.099999999999994 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 C1'-O4'-C4' 116.865 8.072 . 0.01 1m . 72.120000000000005 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.126 8.362 . 0.428 1L . 73.129999999999995 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 C1'-O4'-C4' 116.725 7.916 . 0.48 1a . 74.200000000000003 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.411 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 91.676 -9.874 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.340000000000003 . . . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.363 -7.516 2 C1'-O4'-C4' 118.529 9.921 . 0.0 OUTLIER epsilon-1 75.010000000000005 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 1 O4'-C4'-C3' 89.781 -11.228 . 0.0 OUTLIER gamma 72.439999999999998 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 117.045 8.272 . 0.0 OUTLIER '7D dist 1a' 71.120000000000005 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.999 2 C1'-O4'-C4' 117.411 8.679 . 0.0 OUTLIER '7D dist 1a' 63.420000000000002 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.366 2 O4'-C4'-C3' 93.188 -8.794 . 0.275 1a . 71.319999999999993 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 2 C1'-O4'-C4' 117.576 8.863 . 0.0 OUTLIER gamma 72.519999999999996 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 92.003 -9.641 . 0.423 1a . 75.319999999999993 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 94.262 -8.027 . 0.343 1a . 75.329999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.827 8.03 . 0.0 OUTLIER . 72.519999999999996 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 116.946 8.162 . 0.591 1a . 70.540000000000006 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.822 8.024 . 0.455 1a . 75.530000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.081 2 C1'-O4'-C4' 116.809 8.01 . 0.777 1a . 75.409999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 116.78 7.978 . 0.384 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 117.182 8.425 . 0.557 1a . 72.349999999999994 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.835 2 C1'-O4'-C4' 117.173 8.414 . 0.796 1a . 73.430000000000007 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 116.861 8.067 . 0.796 1a . 71.519999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.528 -0.229 . . . . 45.030000000000001 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -69.06 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.82 0.343 . . . . 73.0 110.881 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.35 13.52 8.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 75.430000000000007 111.086 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -65.37 89.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 70.239999999999995 110.902 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.32 -9.95 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 44.32 112.493 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.22 118.78 33.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 119.36 -0.352 . . . . 72.040000000000006 110.928 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.7 t -60.57 142.33 55.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 64.400000000000006 108.289 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -110.3 38.87 2.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.002 -0.999 . . . . 71.340000000000003 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.6 m -139.93 -48.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 72.140000000000001 111.159 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.29 -37.57 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 74.439999999999998 108.263 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.27 30.16 4.25 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.002 -0.999 . . . . 62.119999999999997 112.453 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -100.09 118.36 61.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.683 0.754 . . . . 70.420000000000002 110.885 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 98.38 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 72.319999999999993 112.339 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.7 -67.18 0.25 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 40.119999999999997 112.509 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -92.38 171.17 9.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 71.299999999999997 110.905 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.39 173.33 6.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 73.530000000000001 110.989 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -50.18 -40.59 47.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 65.329999999999998 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.69 70.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 64.140000000000001 111.116 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -109.24 17.32 21.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 73.530000000000001 110.969 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -74.08 124.36 89.99 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 122.788 1.28 . . . . 75.109999999999999 108.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -12.01 32.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 2.285 . . . . 73.0 112.342 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -98.27 0.5 45.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 62.310000000000002 110.852 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.39 -179.63 4.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 34.530000000000001 110.885 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -114.07 -169.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.847 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -115.46 -170.73 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 74.150000000000006 110.946 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.81 -169.81 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.230000000000004 110.927 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.42 -156.85 28.83 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.745 -0.741 . . . . 53.539999999999999 112.496 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -179.27 125.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 74.049999999999997 110.851 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.32 -74.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 42.420000000000002 110.863 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.91 139.33 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 72.409999999999997 110.851 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 63.98 107.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 74.430000000000007 110.864 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -92.88 169.16 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 72.019999999999996 110.826 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -120.73 117.89 28.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 51.439999999999998 108.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -94.69 31.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.993 -1.003 . . . . 75.150000000000006 110.873 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.74 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -129.45 -35.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 73.239999999999995 110.889 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.2 p -131.85 15.06 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 73.540000000000006 108.371 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.13 19.22 8.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.936 -1.029 . . . . 72.230000000000004 110.937 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.44 162.59 28.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 63.409999999999997 112.483 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -132.21 90.9 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 73.120000000000005 110.837 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.95 -47.01 0.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 62.509999999999998 112.507 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -97.77 -173.85 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.826 0.346 . . . . 63.450000000000003 110.871 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -116.53 150.91 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 63.229999999999997 110.886 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.74 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.46 -40.99 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 60.43 111.079 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -60.64 -24.28 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 74.120000000000005 110.897 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -117.26 22.77 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 73.120000000000005 110.98 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.9 t -81.87 102.68 11.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 75.030000000000001 108.307 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 53.78 -173.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.039 -0.982 . . . . 64.230000000000004 110.869 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.27 168.94 18.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 71.25 110.891 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.31 106.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 71.219999999999999 110.794 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.5 t0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 63.43 110.844 179.931 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 117.082 8.313 . 0.0 '__' . 75.340000000000003 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.903 8.115 . 0.806 1a . 75.219999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.778 7.975 . 0.475 1a . 74.230000000000004 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 117.233 8.481 . 0.654 1a . 74.219999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 117.226 8.473 . 0.603 1a . 75.349999999999994 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.828 2 C1'-O4'-C4' 116.813 8.014 . 0.8 1a . 74.140000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 C1'-O4'-C4' 116.765 7.961 . 0.806 1a . 73.540000000000006 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.101 8.334 . 0.243 1a . 74.530000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . 0.408 " H2'" " H4'" ' B' ' 169' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 116.955 8.173 . 0.0 OUTLIER gamma 74.510000000000005 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . 0.408 " H4'" " H2'" ' B' ' 168' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.935 3 O4'-C4'-C3' 92.467 -9.309 . 0.0 OUTLIER zeta-1 74.530000000000001 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.179 8.421 . 0.01 9a . 74.230000000000004 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 O4'-C4'-C3' 92.278 -9.444 . 0.0 OUTLIER '7D dist 7a' 74.299999999999997 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.796 7.995 . 0.515 1a . 71.439999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 92.962 -8.956 . 0.438 1a . 73.439999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 91.974 -9.661 . 0.836 1a . 71.219999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 O4'-C4'-C3' 91.553 -9.962 . 0.0 OUTLIER gamma 75.340000000000003 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 O4'-C4'-C3' 94.016 -8.203 . 0.0 OUTLIER . 74.340000000000003 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.852 2 C1'-O4'-C4' 116.748 7.943 . 0.529 1a . 65.230000000000004 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 O4'-C4'-C3' 93.513 -8.562 . 0.726 1a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.086 2 O4'-C4'-C3' 93.36 -8.671 . 0.594 1a . 74.030000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 3 O4'-C4'-C3' 93.464 -8.597 . 0.611 1a . 73.319999999999993 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 117.278 8.531 . 0.013 1L . 75.129999999999995 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 O4'-C4'-C3' 91.262 -10.17 . 0.0 OUTLIER . 75.430000000000007 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 90.111 -10.992 . 0.076 1f . 64.049999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 1 O4'-C4'-C3' 91.071 -10.306 . 0.0 OUTLIER . 75.099999999999994 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.867 2 C1'-O4'-C4' 116.817 8.019 . 0.0 OUTLIER . 71.310000000000002 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.866 3 C1'-O4'-C4' 116.864 8.071 . 0.0 OUTLIER . 74.200000000000003 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 3 C1'-O4'-C4' 116.792 7.991 . 0.0 OUTLIER . 74.299999999999997 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.867 8.074 . 0.376 1a . 74.219999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 116.893 8.103 . 0.304 1a . 74.439999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 116.824 8.027 . 0.549 1a . 65.239999999999995 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 94.083 -8.155 . 0.781 1a . 75.239999999999995 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.836 8.04 . 0.826 1a . 71.530000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 116.853 8.059 . 0.644 1a . 65.409999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.888 8.097 . 0.678 1a . 75.409999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 93.933 -8.262 . 0.546 1a . 75.450000000000003 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 116.745 7.939 . 0.662 1a . 74.129999999999995 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 O4'-C4'-C3' 92.443 -9.326 . 0.0 OUTLIER gamma 71.299999999999997 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . 0.47 " H2'" " H1'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.914 1 C1'-O4'-C4' 103.659 -6.601 OUTLIER-DELTA 0.0 OUTLIER . 74.310000000000002 . . . . . . . . . . 4 4 . 1 . 014 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 116.542 7.713 . 0.0 OUTLIER . 73.150000000000006 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . 0.47 " H1'" " H2'" ' B' ' 198' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.486 2.727 2 C1'-O4'-C4' 115.271 6.301 . 0.0 OUTLIER . 74.129999999999995 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . 0.431 " H4'" " O3'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 O4'-C4'-C3' 92.526 -9.267 . 0.051 1e . 71.540000000000006 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 93.763 -8.383 . 0.628 1a . 70.430000000000007 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.846 8.051 . 0.376 1a . 73.230000000000004 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 C1'-O4'-C4' 116.886 8.095 . 0.737 1a . 74.400000000000006 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.202 8.446 . 0.237 1L . 73.099999999999994 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 3 C1'-O4'-C4' 116.814 8.015 . 0.0 OUTLIER zeta-1 74.239999999999995 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 117.285 8.539 . 0.0 OUTLIER . 73.310000000000002 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 3 C1'-O4'-C4' 117.182 8.424 . 0.0 OUTLIER . 75.099999999999994 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 116.862 8.069 . 0.445 1L . 74.519999999999996 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 117.086 8.318 . 0.47 1a . 75.549999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 C1'-O4'-C4' 116.811 8.013 . 0.229 1a . 73.209999999999994 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 116.834 8.038 . 0.161 1a . 71.329999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.84 8.044 . 0.166 1a . 71.120000000000005 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.864 2 C1'-O4'-C4' 116.668 7.853 . 0.06 1m . 75.209999999999994 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.763 7.959 . 0.474 1a . 73.450000000000003 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.228 8.475 . 0.298 1L . 74.25 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 94.082 -8.156 . 0.793 1a . 73.409999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.404 " O2'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 92.268 -9.452 OUTLIER-EPSILON 0.0 OUTLIER gamma 73.340000000000003 . . . . . . . . . . 4 4 . 1 . 014 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.404 ' OP1' " O2'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.36 -7.723 2 C1'-O4'-C4' 118.59 9.989 . 0.0 OUTLIER epsilon-1 75.099999999999994 . . . . . . . . . . 4 3 . 1 . 014 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 1 O4'-C4'-C3' 89.982 -11.085 . 0.0 OUTLIER gamma 74.409999999999997 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 93.214 -8.776 . 0.0 OUTLIER gamma 73.129999999999995 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 2 O4'-C4'-C3' 94.167 -8.095 . 0.0 OUTLIER gamma 74.239999999999995 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 1 O4'-C4'-C3' 91.546 -9.967 . 0.227 1a . 63.219999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.867 3 O4'-C4'-C3' 92.418 -9.344 . 0.0 OUTLIER '7D dist 5n wannabe' 61.329999999999998 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.043 8.27 . 0.01 1L . 72.420000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 93.482 -8.584 . 0.547 1a . 63.350000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 93.941 -8.256 . 0.0 OUTLIER . 74.109999999999999 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 117.066 8.296 . 0.341 1a . 74.540000000000006 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 116.824 8.027 . 0.605 1a . 72.409999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.828 8.031 . 0.15 1a . 73.519999999999996 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.89 8.1 . 0.01 1a . 74.519999999999996 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.259 8.51 . 0.598 1a . 74.209999999999994 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 117.008 8.231 . 0.819 1a . 75.439999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.789 7.988 . 0.669 1a . 74.109999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.481 -0.247 . . . . 45.030000000000001 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.53 153.04 18.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.359 . . . . 73.219999999999999 110.824 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' HB3' ' H21' ' B' ' 218' ' ' ' G' . . . -162.4 25.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 52.329999999999998 111.077 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -63.48 88.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 71.140000000000001 110.866 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.69 -14.35 0.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 13.51 112.49 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.95 121.74 43.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 119.318 -0.373 . . . . 60.240000000000002 110.895 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -64.24 140.77 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 74.120000000000005 108.242 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -108.1 39.66 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.997 -1.001 . . . . 75.319999999999993 110.919 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.1 m -140.43 -48.38 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 72.319999999999993 111.122 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -110.54 -37.35 5.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 44.409999999999997 108.322 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.01 30.03 4.37 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 114.945 -1.025 . . . . 63.039999999999999 112.493 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -99.39 118.6 62.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 73.310000000000002 110.885 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 96.72 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.725 2.283 . . . . 71.209999999999994 112.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.38 -68.82 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 54.109999999999999 112.528 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -90.48 171.46 9.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 72.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -114.03 173.96 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.439999999999998 110.922 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.87 -40.78 63.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 65.099999999999994 110.92 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.457 ' HB2' " O2'" ' B' ' 216' ' ' ' C' . . . -61.78 -18.13 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.010000000000005 111.061 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.27 16.97 9.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 72.049999999999997 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.8 t -71.23 124.27 90.71 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.832 1.301 . . . . 51.43 108.266 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -12.96 33.89 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.684 2.256 . . . . 71.340000000000003 112.368 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -97.27 1.17 49.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 75.019999999999996 110.953 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.1 23.95 5.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 110.85 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -96.59 172.81 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 74.530000000000001 110.858 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.99 169.38 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 75.200000000000003 110.877 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 m -91.65 -68.84 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 73.129999999999995 110.866 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.98 151.81 14.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.68 -0.772 . . . . 71.349999999999994 112.43 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -146.71 42.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 73.230000000000004 110.874 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.0 m -82.59 -171.2 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 63.439999999999998 110.88 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -124.87 165.64 17.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 51.310000000000002 110.865 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 61.28 26.3 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 74.319999999999993 110.859 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -102.34 172.84 6.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 73.299999999999997 110.902 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.4 t -123.6 117.19 24.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 62.450000000000003 108.284 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.96 28.77 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.02 -0.991 . . . . 65.340000000000003 110.854 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.816 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.91 -36.09 2.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 64.200000000000003 110.9 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -130.06 14.35 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 63.329999999999998 108.333 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 59.61 20.78 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.969 -1.014 . . . . 75.510000000000005 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.96 158.11 48.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.776 -0.726 . . . . 74.439999999999998 112.455 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.0 ttm -124.63 97.73 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.839 0.352 . . . . 74.310000000000002 110.908 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.89 -57.69 0.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.69 -0.767 . . . . 62.020000000000003 112.464 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -86.55 -173.4 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 73.340000000000003 110.882 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.56 151.27 38.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.109999999999999 110.935 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.816 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.24 -37.71 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 71.319999999999993 111.042 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -22.22 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 72.319999999999993 110.875 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.64 16.04 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 70.120000000000005 110.886 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.1 t -87.88 139.29 30.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 73.319999999999993 108.343 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 52.0 85.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.028 -0.987 . . . . 71.299999999999997 110.905 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -154.27 -62.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 63.140000000000001 110.859 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.37 44.01 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 64.109999999999999 110.86 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 110.935 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.211 8.457 . 0.0 '__' . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.971 8.19 . 0.637 1a . 75.310000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.808 8.009 . 0.576 1a . 72.310000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.149 8.388 . 0.568 1a . 63.439999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 117.04 8.267 . 0.62 1a . 74.299999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 93.775 -8.375 . 0.855 1a . 73.150000000000006 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.063 8.292 . 0.767 1a . 70.239999999999995 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 94.105 -8.139 . 0.693 1a . 73.109999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.85 2 O4'-C4'-C3' 92.087 -9.581 . 0.0 OUTLIER . 72.040000000000006 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.346 7.495 . 0.0 OUTLIER . 74.329999999999998 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 O4'-C4'-C3' 92.942 -8.97 . 0.194 9a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 117.252 8.502 . 0.0 OUTLIER . 75.109999999999999 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.838 2 C1'-O4'-C4' 116.836 8.04 . 0.531 1a . 73.549999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.004 8.227 . 0.514 1a . 70.230000000000004 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 O4'-C4'-C3' 93.527 -8.552 . 0.632 1a . 72.549999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 93.378 -8.658 . 0.0 OUTLIER . 71.439999999999998 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.107 8.341 . 0.0 OUTLIER . 64.400000000000006 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 116.841 8.046 . 0.569 1a . 75.439999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 O4'-C4'-C3' 94.071 -8.164 . 0.686 1a . 74.150000000000006 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 117.229 8.477 . 0.533 1a . 75.530000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 93.485 -8.582 . 0.665 1a . 74.109999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 117.264 8.516 . 0.034 1L . 75.099999999999994 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.394 1 C1'-O4'-C4' 102.491 -7.899 OUTLIER-EPSILON 0.0 OUTLIER . 73.400000000000006 . . . . . . . . . . 4 3 . 1 . 015 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 1 O4'-C4'-C3' 90.544 -10.683 . 0.0 OUTLIER epsilon-1 74.439999999999998 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 1 O4'-C4'-C3' 91.084 -10.297 . 0.116 1f . 72.310000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.839 8.043 . 0.0 OUTLIER gamma 75.140000000000001 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 116.874 8.082 . 0.0 OUTLIER . 74.230000000000004 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 3 C1'-O4'-C4' 116.837 8.041 . 0.0 OUTLIER . 62.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.815 8.017 . 0.399 1a . 75.420000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 117.076 8.307 . 0.273 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 116.885 8.095 . 0.688 1a . 72.439999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.818 2 O4'-C4'-C3' 93.984 -8.226 . 0.709 1a . 73.329999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.763 7.959 . 0.829 1a . 73.150000000000006 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 C1'-O4'-C4' 116.788 7.987 . 0.841 1a . 73.150000000000006 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 117.243 8.493 . 0.598 1a . 72.340000000000003 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 C1'-O4'-C4' 117.119 8.355 . 0.475 1a . 74.120000000000005 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.844 8.049 . 0.587 1a . 74.549999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 O4'-C4'-C3' 92.09 -9.579 . 0.0 OUTLIER . 73.310000000000002 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 1 O4'-C4'-C3' 90.883 -10.44 . 0.0 OUTLIER gamma 73.329999999999998 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 116.908 8.12 . 0.0 OUTLIER . 74.150000000000006 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 1 C1'-O4'-C4' 115.261 6.29 . 0.0 OUTLIER gamma 74.019999999999996 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 3 O4'-C4'-C3' 90.901 -10.428 . 0.123 1e . 74.129999999999995 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 93.253 -8.748 . 0.301 1a . 75.549999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 C1'-O4'-C4' 117.105 8.339 . 0.286 1a . 74.450000000000003 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.876 8.084 . 0.697 1a . 72.329999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 117.163 8.404 . 0.304 1L . 73.5 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 3 C1'-O4'-C4' 116.882 8.091 . 0.0 OUTLIER zeta-1 75.409999999999997 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.057 2 C1'-O4'-C4' 117.255 8.506 . 0.0 OUTLIER '7D dist &a' 64.439999999999998 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 C1'-O4'-C4' 117.152 8.391 . 0.0 OUTLIER . 74.439999999999998 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 116.856 8.063 . 0.445 1L . 71.010000000000005 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 117.151 8.39 . 0.462 1a . 63.409999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.736 7.929 . 0.237 1a . 74.099999999999994 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.793 7.992 . 0.36 1a . 73.299999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 116.774 7.971 . 0.251 1L . 75.319999999999993 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 116.841 8.045 . 0.0 OUTLIER zeta-1 74.420000000000002 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 116.789 7.987 . 0.545 1a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.457 " O2'" ' HB2' ' A' ' 32' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 117.176 8.418 . 0.435 1L . 73.120000000000005 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.788 7.987 . 0.504 1a . 74.120000000000005 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.438 ' H21' ' HB3' ' A' ' 17' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 92.359 -9.387 OUTLIER-EPSILON 0.0 OUTLIER gamma 75.540000000000006 . . . . . . . . . . 4 4 . 1 . 015 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.371 -6.793 2 C1'-O4'-C4' 118.398 9.775 . 0.0 OUTLIER epsilon-1 75.140000000000001 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 1 O4'-C4'-C3' 89.827 -11.195 . 0.0 OUTLIER gamma 63.329999999999998 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 117.115 8.35 . 0.0 OUTLIER '7D dist 1a' 75.120000000000005 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 C1'-O4'-C4' 117.377 8.642 . 0.0 OUTLIER '7D dist 1a' 74.540000000000006 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.195 2 O4'-C4'-C3' 92.821 -9.056 . 0.275 1a . 73.239999999999995 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 2 C1'-O4'-C4' 117.443 8.714 . 0.0 OUTLIER gamma 74.409999999999997 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.239 8.488 . 0.162 1a . 73.219999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 116.829 8.032 . 0.557 1a . 73.400000000000006 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 C1'-O4'-C4' 116.816 8.018 . 0.012 7a . 73.030000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.886 8.096 . 0.774 1a . 75.150000000000006 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.852 8.058 . 0.746 1a . 75.439999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.815 8.017 . 0.345 1a . 73.519999999999996 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.875 8.083 . 0.731 1a . 65.25 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.001 8.223 . 0.74 1a . 75.310000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 117.124 8.36 . 0.673 1a . 70.430000000000007 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.749 7.944 . 0.529 1a . 74.109999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 112.562 -0.215 . . . . 45.030000000000001 112.562 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 63.1 103.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.862 0.363 . . . . 72.540000000000006 110.87 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' HB3' ' H21' ' B' ' 218' ' ' ' G' . . . -94.7 22.53 6.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 64.010000000000005 111.048 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 135.05 26.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 72.530000000000001 110.917 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.3 -22.22 41.97 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 70.340000000000003 112.512 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.04 123.4 48.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 119.251 -0.404 . . . . 52.520000000000003 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.21 148.32 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.614 1.196 . . . . 62.450000000000003 108.335 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.418 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 8.3 t80 -114.35 -23.42 9.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.002 -0.999 . . . . 65.310000000000002 110.914 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.7 m -66.74 -43.14 84.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 63.310000000000002 111.199 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -111.77 -36.94 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 72.319999999999993 108.288 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.59 35.29 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.022 -0.99 . . . . 70.510000000000005 112.471 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.2 m -106.0 115.4 61.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.639 0.733 . . . . 72.129999999999995 110.787 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 96.42 0.6 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.694 2.263 . . . . 54.240000000000002 112.306 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.2 -26.06 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.743 . . . . 15.42 112.493 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -140.72 -175.04 4.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 70.019999999999996 110.828 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -129.46 178.21 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 110.959 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.4 -43.5 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 74.329999999999998 110.892 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.63 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 45.520000000000003 111.076 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -122.77 27.26 7.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 51.43 110.88 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.0 t -81.51 124.24 80.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.857 1.313 . . . . 62.240000000000002 108.285 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -12.41 32.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.799 2.333 . . . . 72.329999999999998 112.329 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -98.81 0.25 43.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 72.319999999999993 110.871 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -83.08 107.5 15.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.109999999999999 110.925 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -161.3 44.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 74.129999999999995 110.874 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.25 122.07 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.140000000000001 110.921 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.75 166.58 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 63.119999999999997 110.863 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.74 129.25 1.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 63.310000000000002 112.466 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -174.29 139.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 73.340000000000003 110.954 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m -78.14 141.01 39.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 74.120000000000005 110.901 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -178.96 -170.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 73.109999999999999 110.947 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -57.1 -24.24 52.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 44.149999999999999 110.913 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 -94.91 170.04 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 64.420000000000002 110.882 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.9 t -121.0 117.42 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 108.269 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -94.72 29.98 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.942 -1.027 . . . . 74.420000000000002 110.971 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.781 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -127.37 -35.51 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 50.25 110.848 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.3 p -130.9 14.6 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 64.420000000000002 108.301 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 59.78 20.19 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.03 -0.986 . . . . 54.509999999999998 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.45 161.37 38.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 64.439999999999998 112.506 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -128.56 95.32 4.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 71.219999999999999 110.97 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.52 -56.76 0.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 73.099999999999994 112.447 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -86.84 -173.51 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 74.219999999999999 110.872 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -117.88 150.61 38.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 71.25 110.861 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.781 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.24 -37.33 72.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 72.129999999999995 111.127 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -62.3 -22.23 65.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 70.340000000000003 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.02 16.48 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 65.430000000000007 110.916 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.7 t -89.24 138.86 31.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 73.519999999999996 108.288 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 58.35 57.49 3.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.952 -1.022 . . . . 75.129999999999995 110.869 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.5 -62.49 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 71.019999999999996 110.857 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -143.19 139.45 30.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 72.230000000000004 110.889 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 71.209999999999994 110.855 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 93.66 -8.457 . 0.0 '__' . 73.140000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.982 8.202 . 0.476 1a . 74.519999999999996 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 116.785 7.984 . 0.764 1a . 71.430000000000007 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.042 8.269 . 0.685 1a . 74.340000000000003 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 94.011 -8.206 . 0.888 1a . 74.219999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 94.049 -8.179 . 0.385 1a . 75.340000000000003 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 117.149 8.388 . 0.7 1a . 75.420000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 116.852 8.058 . 0.065 1a . 75.409999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 90.75 -10.536 . 0.0 OUTLIER . 75.420000000000002 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 O4'-C4'-C3' 92.44 -9.329 . 0.0 OUTLIER . 74.310000000000002 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 O4'-C4'-C3' 91.236 -10.189 . 0.278 9a . 73.439999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 93.968 -8.237 . 0.57 1a . 65.530000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 C1'-O4'-C4' 116.735 7.928 . 0.527 1a . 73.549999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 C1'-O4'-C4' 116.968 8.186 . 0.835 1a . 72.319999999999993 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 93.318 -8.702 . 0.541 1a . 74.319999999999993 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 O4'-C4'-C3' 92.185 -9.51 . 0.297 3d . 71.230000000000004 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.954 8.171 . 0.0 OUTLIER . 74.519999999999996 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 116.813 8.015 . 0.484 1a . 73.340000000000003 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 O4'-C4'-C3' 93.526 -8.553 . 0.765 1a . 72.049999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 117.119 8.355 . 0.453 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 O4'-C4'-C3' 93.288 -8.723 . 0.652 1a . 75.140000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 117.194 8.437 . 0.061 1L . 74.040000000000006 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 O4'-C4'-C3' 91.537 -9.973 . 0.0 OUTLIER . 75.510000000000005 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 93.351 -8.678 . 0.0 OUTLIER . 73.209999999999994 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 1 O4'-C4'-C3' 90.575 -10.661 . 0.0 OUTLIER . 74.319999999999993 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.047 2 C1'-O4'-C4' 116.799 7.999 . 0.045 1f . 74.209999999999994 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 3 C1'-O4'-C4' 116.804 8.004 . 0.0 OUTLIER . 73.5 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.857 8.063 . 0.0 OUTLIER . 74.129999999999995 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.868 2 C1'-O4'-C4' 116.817 8.019 . 0.518 1a . 73.540000000000006 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 117.14 8.378 . 0.071 1a . 75.329999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.788 7.986 . 0.78 1a . 75.439999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 94.176 -8.089 . 0.785 1a . 73.450000000000003 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.862 8.069 . 0.686 1a . 75.099999999999994 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.839 8.043 . 0.447 1a . 75.409999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 C1'-O4'-C4' 117.183 8.426 . 0.58 1a . 74.310000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 94.005 -8.211 . 0.46 1a . 73.030000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 116.788 7.986 . 0.0 OUTLIER '7D dist 1a' 75.420000000000002 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 91.761 -9.814 . 0.0 OUTLIER gamma 75.420000000000002 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . 0.479 " H2'" " H1'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 91.258 -10.173 . 0.0 OUTLIER . 75.25 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.852 8.058 . 0.052 1g . 75.099999999999994 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . 0.479 " H1'" " H2'" ' B' ' 198' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.487 2.831 2 C1'-O4'-C4' 114.463 5.404 . 0.0 OUTLIER . 72.540000000000006 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . 0.406 " H4'" " O3'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 93.28 -8.729 . 0.01 1e . 72.319999999999993 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 O4'-C4'-C3' 93.792 -8.363 . 0.644 1a . 75.310000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 C1'-O4'-C4' 116.884 8.093 . 0.353 1a . 74.239999999999995 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.916 8.129 . 0.683 1a . 75.129999999999995 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.838 2 C1'-O4'-C4' 117.183 8.426 . 0.284 1L . 72.319999999999993 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 3 C1'-O4'-C4' 116.776 7.973 . 0.0 OUTLIER zeta-1 73.200000000000003 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 C1'-O4'-C4' 117.245 8.495 . 0.0 OUTLIER '7D dist &a' 64.420000000000002 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.054 3 C1'-O4'-C4' 117.176 8.418 . 0.0 OUTLIER . 74.409999999999997 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.798 7.998 . 0.451 1L . 74.400000000000006 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.114 8.349 . 0.498 1a . 75.420000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 116.79 7.989 . 0.229 1a . 71.430000000000007 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.837 8.041 . 0.07 1a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.788 7.987 . 0.467 1a . 75.109999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.846 8.051 . 0.0 OUTLIER . 74.409999999999997 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.59 7.766 . 0.424 1a . 74.140000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 O4'-C4'-C3' 92.952 -8.963 . 0.619 1L . 75.150000000000006 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.796 7.995 . 0.795 1a . 74.140000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.48 ' H21' ' HB3' ' A' ' 17' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 91.819 -9.772 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.099999999999994 . . . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.418 ' O2 ' " H2'" ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.358 -7.951 2 C1'-O4'-C4' 118.603 10.004 . 0.0 OUTLIER epsilon-1 71.439999999999998 . . . . . . . . . . 4 3 . 1 . 016 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 1 O4'-C4'-C3' 89.907 -11.138 . 0.0 OUTLIER gamma 74.140000000000001 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 93.711 -8.421 . 0.0 OUTLIER gamma 74.439999999999998 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 2 O4'-C4'-C3' 94.032 -8.191 . 0.068 1a . 72.219999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.337 1 O4'-C4'-C3' 91.629 -9.908 . 0.229 1a . 72.109999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 3 O4'-C4'-C3' 92.697 -9.145 . 0.01 5n . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 117.287 8.541 . 0.01 1L . 72.450000000000003 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 C1'-O4'-C4' 116.83 8.034 . 0.484 1a . 73.409999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.841 8.045 . 0.0 OUTLIER . 73.230000000000004 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.226 8.473 . 0.665 1a . 74.430000000000007 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.825 8.028 . 0.388 1a . 74.299999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.8 7.999 . 0.651 1a . 73.129999999999995 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.814 8.016 . 0.651 1a . 74.329999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.944 8.16 . 0.757 1a . 72.430000000000007 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.972 8.192 . 0.799 1a . 75.450000000000003 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.786 7.985 . 0.723 1a . 73.040000000000006 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.53 -0.228 . . . . 45.030000000000001 112.53 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -52.05 -55.66 19.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 74.219999999999999 110.85 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.78 15.56 9.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 62.009999999999998 111.106 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 130.33 42.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 72.450000000000003 110.843 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.43 -22.69 39.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 63.210000000000001 112.478 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.06 119.8 39.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 119.277 -0.392 . . . . 65.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.16 150.59 48.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 72.109999999999999 108.243 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.5 t80 -115.92 -23.79 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.982 -1.008 . . . . 74.530000000000001 110.916 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.4 m -65.99 -43.73 86.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 60.539999999999999 111.1 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.51 -38.01 5.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 64.219999999999999 108.35 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 34.98 3.99 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 114.921 -1.036 . . . . 61.020000000000003 112.516 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -99.92 118.32 61.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 63.43 110.875 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 91.3 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.746 2.297 . . . . 70.049999999999997 112.303 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.04 -63.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.663 -0.779 . . . . 64.140000000000001 112.41 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -96.69 -174.61 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 75.430000000000007 110.851 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.42 176.2 8.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.140000000000001 110.919 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -51.73 -42.68 62.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 62.329999999999998 110.902 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.97 -23.53 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -123.37 25.53 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 54.439999999999998 110.958 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.5 t -80.61 124.22 82.14 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 122.754 1.264 . . . . 61.329999999999998 108.319 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -12.01 32.03 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.675 2.25 . . . . 72.040000000000006 112.314 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 0.36 44.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.549999999999997 110.949 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -86.1 -26.11 25.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 75.409999999999997 110.917 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -166.42 140.61 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.854 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -120.08 -173.1 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 71.450000000000003 110.895 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.3 t -178.65 161.1 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 72.5 110.828 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.63 -132.21 5.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 62.240000000000002 112.544 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -128.7 134.2 48.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.362 . . . . 74.120000000000005 110.832 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -81.1 -172.17 3.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 73.140000000000001 110.885 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -111.07 -43.86 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 72.519999999999996 110.879 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -114.11 81.95 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 74.310000000000002 110.859 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -106.07 173.92 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 71.030000000000001 110.874 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t -123.67 117.18 24.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 73.040000000000006 108.3 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.98 29.17 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.98 -1.009 . . . . 64.540000000000006 110.925 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.832 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -126.4 -35.66 2.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 63.109999999999999 110.966 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.7 p -130.51 14.32 5.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 54.539999999999999 108.257 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 m120 59.16 21.12 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.027 -0.988 . . . . 70.409999999999997 110.911 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.93 159.14 49.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.761 . . . . 41.420000000000002 112.509 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.6 ttt -125.77 100.8 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 65.099999999999994 110.907 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.31 -53.59 0.58 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.683 -0.77 . . . . 41.329999999999998 112.441 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -91.51 -173.52 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 62.299999999999997 110.881 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.45 151.47 37.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 62.109999999999999 110.877 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.832 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.27 -37.35 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.299999999999997 111.061 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -22.47 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 71.420000000000002 110.869 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -116.1 15.97 16.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 110.879 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.2 t -88.68 139.98 29.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 64.299999999999997 108.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 53.66 55.63 8.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.051 -0.977 . . . . 73.430000000000007 110.875 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.99 -49.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.099999999999994 110.908 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 59.04 80.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 53.020000000000003 110.879 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 75.129999999999995 110.906 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 C1'-O4'-C4' 116.82 8.023 . 0.0 '__' . 73.420000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.119 8.355 . 0.554 1a . 74.430000000000007 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.866 2 C1'-O4'-C4' 116.817 8.019 . 0.348 1a . 75.409999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.841 8.046 . 0.776 1a . 71.530000000000001 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 93.378 -8.658 . 0.724 1a . 74.230000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 92.95 -8.964 . 0.718 1a . 72.230000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 117.225 8.472 . 0.253 1a . 73.239999999999995 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.052 2 C1'-O4'-C4' 116.95 8.167 . 0.671 1a . 72.510000000000005 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 91.675 -9.875 . 0.0 OUTLIER . 72.430000000000007 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 1 O4'-C4'-C3' 90.776 -10.517 . 0.0 OUTLIER . 70.409999999999997 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 91.974 -9.661 . 0.021 9a . 74.239999999999995 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 O4'-C4'-C3' 92.582 -9.227 . 0.12 1L . 74.129999999999995 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.058 2 C1'-O4'-C4' 116.727 7.919 . 0.305 1a . 74.239999999999995 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 117.039 8.266 . 0.799 1a . 73.430000000000007 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 93.489 -8.58 . 0.499 1a . 71.200000000000003 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.066 2 O4'-C4'-C3' 94.039 -8.186 . 0.0 OUTLIER gamma 74.209999999999994 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 93.883 -8.298 . 0.0 OUTLIER . 75.329999999999998 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 C1'-O4'-C4' 116.874 8.083 . 0.683 1a . 75.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 92.785 -9.082 . 0.791 1a . 74.400000000000006 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 O4'-C4'-C3' 92.621 -9.199 . 0.764 1a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 93.039 -8.901 . 0.615 1a . 64.430000000000007 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 C1'-O4'-C4' 117.21 8.455 . 0.018 1L . 75.129999999999995 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 1 O4'-C4'-C3' 91.191 -10.22 . 0.0 OUTLIER '7D dist 1c' 70.310000000000002 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.032 1 O4'-C4'-C3' 90.969 -10.38 . 0.0 OUTLIER . 73.5 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 1 O4'-C4'-C3' 90.698 -10.573 . 0.0 OUTLIER . 73.219999999999999 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.748 7.942 . 0.0 OUTLIER . 65.129999999999995 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.777 7.975 . 0.0 OUTLIER gamma 74.25 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.78 7.978 . 0.0 OUTLIER . 72.510000000000005 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 C1'-O4'-C4' 116.749 7.944 . 0.496 1a . 75.319999999999993 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.812 2 C1'-O4'-C4' 117.187 8.43 . 0.103 1a . 73.450000000000003 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.856 2 C1'-O4'-C4' 116.801 8.001 . 0.809 1a . 74.310000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.97 8.188 . 0.861 1a . 73.450000000000003 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.788 7.986 . 0.634 1a . 73.200000000000003 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.079 2 C1'-O4'-C4' 116.795 7.994 . 0.694 1a . 72.540000000000006 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 C1'-O4'-C4' 116.955 8.172 . 0.569 1a . 72.450000000000003 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 93.456 -8.603 . 0.677 1a . 73.319999999999993 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.86 8.067 . 0.586 1a . 72.519999999999996 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 3 O4'-C4'-C3' 91.802 -9.784 . 0.0 OUTLIER alpha 74.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 1 O4'-C4'-C3' 90.922 -10.413 . 0.0 OUTLIER . 72.129999999999995 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 3 C1'-O4'-C4' 116.925 8.138 . 0.0 OUTLIER . 74.239999999999995 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.197 8.441 . 0.0 OUTLIER '7D dist 5d' 74.230000000000004 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 90.844 -10.469 . 0.0 OUTLIER . 72.219999999999999 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 92.246 -9.467 . 0.65 1a . 75.109999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 94.136 -8.117 . 0.214 1a . 74.310000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.883 8.092 . 0.568 1a . 74.040000000000006 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.815 2 C1'-O4'-C4' 117.286 8.54 . 0.156 1L . 74.540000000000006 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.829 8.032 . 0.0 OUTLIER zeta-1 75.030000000000001 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 117.281 8.534 . 0.0 OUTLIER . 74.310000000000002 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.864 3 C1'-O4'-C4' 116.924 8.138 . 0.0 OUTLIER . 75.209999999999994 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 116.849 8.054 . 0.46 1L . 73.409999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 O4'-C4'-C3' 94.162 -8.099 . 0.491 1a . 72.430000000000007 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.813 8.014 . 0.798 1a . 74.329999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 116.806 8.007 . 0.046 1a . 74.109999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.844 8.049 . 0.612 1a . 75.129999999999995 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.804 8.005 . 0.0 OUTLIER zeta-1 75.519999999999996 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 O4'-C4'-C3' 94.075 -8.161 . 0.529 1a . 73.299999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 117.185 8.428 . 0.177 1L . 72.430000000000007 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 C1'-O4'-C4' 117.269 8.521 . 0.0 OUTLIER gamma 74.439999999999998 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.424 " O2'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.197 2 O4'-C4'-C3' 91.994 -9.647 OUTLIER-EPSILON 0.0 OUTLIER gamma 63.299999999999997 . . . . . . . . . . 4 4 . 1 . 017 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.424 ' OP1' " O2'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.39 -5.281 2 C1'-O4'-C4' 118.051 9.39 . 0.0 OUTLIER epsilon-1 74.409999999999997 . . . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 1 O4'-C4'-C3' 91.227 -10.195 . 0.0 OUTLIER gamma 75.230000000000004 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.568 7.742 . 0.087 1a . 72.409999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.246 8.496 . 0.232 1a . 74.519999999999996 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . 0.58 " O2'" " O5'" ' B' ' 224' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.458 2 C1'-O4'-C4' 117.798 9.109 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 74.329999999999998 . . . . . . . . . . 5 4 . 1 . 017 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . 0.58 " O5'" " O2'" ' B' ' 223' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.962 2 O4'-C4'-C3' 91.688 -9.865 . 0.0 OUTLIER epsilon-1 72.420000000000002 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.303 8.559 . 0.023 1L . 75.219999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.728 7.92 . 0.226 1a . 73.430000000000007 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.794 7.993 . 0.044 1m . 73.049999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.982 8.203 . 0.641 1a . 75.219999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 C1'-O4'-C4' 116.822 8.024 . 0.79 1a . 74.120000000000005 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.839 8.043 . 0.773 1a . 75.239999999999995 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.781 7.979 . 0.838 1a . 75.510000000000005 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 94.067 -8.167 . 0.844 1a . 74.310000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.175 8.416 . 0.753 1a . 74.230000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 C1'-O4'-C4' 116.811 8.012 . 0.778 1a . 74.519999999999996 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.498 -0.241 . . . . 65.340000000000003 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.15 141.44 28.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 73.329999999999998 110.823 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.59 1.72 5.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 73.209999999999994 111.106 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.29 126.24 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 65.540000000000006 110.846 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.33 -31.99 5.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.658 -0.782 . . . . 60.119999999999997 112.47 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.41 123.86 51.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 119.291 -0.385 . . . . 45.350000000000001 110.975 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -70.96 150.57 45.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 63.399999999999999 108.275 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.44 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 3.1 t80 -116.27 -24.36 7.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.011 -0.995 . . . . 72.209999999999994 110.904 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.6 m -64.91 -43.0 94.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 72.099999999999994 111.164 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.41 -38.33 4.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 61.329999999999998 108.32 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.17 34.43 3.96 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 114.988 -1.006 . . . . 71.430000000000007 112.473 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -100.44 119.75 58.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 53.109999999999999 110.947 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 96.23 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.272 . . . . 51.340000000000003 112.295 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.51 -65.58 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 63.329999999999998 112.464 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -94.85 -172.99 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.705 0.288 . . . . 75.019999999999996 110.916 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.41 178.07 7.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 64.209999999999994 110.91 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -49.88 -43.22 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 110.915 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.67 64.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 42.229999999999997 111.091 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -118.16 28.42 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.319999999999993 110.934 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 t -84.36 124.23 74.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.801 1.286 . . . . 72.129999999999995 108.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -12.54 33.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 73.340000000000003 112.309 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -98.24 0.66 46.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.947 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 168.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 65.129999999999995 110.895 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -170.55 165.38 8.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 62.140000000000001 110.859 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.91 -170.14 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 72.340000000000003 110.91 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.46 -74.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 75.25 110.955 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.0 -164.69 22.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 73.439999999999998 112.479 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -141.97 -49.49 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 74.329999999999998 110.903 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.21 105.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 72.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.84 164.53 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 64.439999999999998 110.867 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -55.07 -28.13 50.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 45.539999999999999 110.824 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -100.43 168.27 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.349999999999994 110.814 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -118.66 118.36 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 63.329999999999998 108.223 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.19 31.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.943 -1.026 . . . . 72.430000000000007 110.888 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.763 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -128.99 -35.33 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 74.239999999999995 110.915 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.0 p -131.36 14.66 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 64.409999999999997 108.295 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.05 21.0 8.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.018 -0.992 . . . . 70.150000000000006 110.856 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.19 159.17 41.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.728 . . . . 73.439999999999998 112.493 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.9 tpp -124.34 95.86 4.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 73.219999999999999 110.96 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.09 -58.42 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 71.230000000000004 112.486 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -86.41 -173.0 4.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 54.219999999999999 110.848 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -121.09 153.26 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 63.210000000000001 110.873 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.763 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -54.6 -44.53 73.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 63.350000000000001 111.145 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -23.79 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 73.349999999999994 110.88 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.05 19.24 15.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 72.150000000000006 110.919 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.7 t -86.91 125.84 34.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 71.400000000000006 108.297 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.466 ' HG2' " H2'" ' B' ' 196' ' ' ' G' . 0.3 OUTLIER -87.49 139.08 30.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.05 -0.977 . . . . 63.439999999999998 110.808 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -71.96 178.85 3.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 73.430000000000007 110.86 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -77.71 86.01 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 110.855 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 72.209999999999994 110.869 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 93.82 -8.343 . 0.0 '__' . 72.5 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 93.793 -8.362 . 0.671 1a . 75.030000000000001 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 116.746 7.94 . 0.719 1a . 74.129999999999995 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 O4'-C4'-C3' 93.873 -8.305 . 0.794 1a . 73.420000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.953 8.17 . 0.614 1a . 64.200000000000003 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 116.87 8.077 . 0.375 1a . 73.420000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 117.232 8.48 . 0.268 1L . 74.040000000000006 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . 0.414 " O3'" HD21 ' A' ' 49' ' ' LEU . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 117.018 8.243 . 0.231 1L . 75.209999999999994 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 0 C1'-O4'-C4' 113.117 3.908 . 0.0 OUTLIER '7D dist 1f' 73.420000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 92.738 -9.116 . 0.0 OUTLIER zeta-1 74.120000000000005 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 117.11 8.344 . 0.17 3a . 74.409999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 93.34 -8.686 . 0.205 1m . 75.140000000000001 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.779 7.977 . 0.313 1a . 72.239999999999995 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.959 8.176 . 0.568 1a . 73.420000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.068 3 O4'-C4'-C3' 93.483 -8.584 . 0.623 1a . 75.420000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 91.107 -10.281 . 0.0 OUTLIER . 72.430000000000007 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 117.006 8.229 . 0.0 OUTLIER . 74.450000000000003 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 3 C1'-O4'-C4' 116.856 8.062 . 0.458 1a . 71.140000000000001 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 94.005 -8.211 . 0.503 1a . 74.430000000000007 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 117.159 8.399 . 0.372 1a . 74.319999999999993 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.318 -8.701 . 0.618 1a . 74.310000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.261 8.513 . 0.01 1L . 73.540000000000006 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.857 2 O4'-C4'-C3' 91.878 -9.73 . 0.0 OUTLIER . 72.209999999999994 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 C1'-O4'-C4' 117.148 8.386 . 0.0 OUTLIER . 74.540000000000006 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 1 C1'-O4'-C4' 104.391 -5.788 OUTLIER-DELTA 0.0 OUTLIER . 74.510000000000005 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 3 C1'-O4'-C4' 116.793 7.992 . 0.0 OUTLIER . 74.120000000000005 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.77 7.967 . 0.0 OUTLIER . 74.5 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 116.787 7.986 . 0.0 OUTLIER gamma 73.049999999999997 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 116.802 8.003 . 0.493 1a . 74.209999999999994 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 O4'-C4'-C3' 93.064 -8.883 . 0.949 1a . 72.430000000000007 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 116.898 8.109 . 0.471 1a . 74.299999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 117.178 8.42 . 0.234 1a . 74.319999999999993 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 116.779 7.977 . 0.344 1a . 72.450000000000003 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.741 7.934 . 0.29 1a . 73.510000000000005 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 C1'-O4'-C4' 117.205 8.451 . 0.01 1m . 75.319999999999993 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 117.037 8.263 . 0.267 1a . 72.319999999999993 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . 0.466 " H2'" ' HG2' ' A' ' 61' ' ' ARG . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.738 7.932 . 0.022 1a . 63.420000000000002 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.921 8.134 . 0.0 OUTLIER gamma 72.439999999999998 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 1 O4'-C4'-C3' 90.078 -11.016 . 0.0 OUTLIER gamma 74.25 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 O4'-C4'-C3' 93.015 -8.918 . 0.0 OUTLIER . 73.549999999999997 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 3 O4'-C4'-C3' 93.393 -8.648 OUTLIER-DELTA 0.01 3g . 71.25 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 92.408 -9.351 . 0.043 5n . 75.129999999999995 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 92.973 -8.948 . 0.539 1a . 73.439999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.943 8.159 . 0.01 1a . 73.310000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 116.846 8.051 . 0.56 1a . 73.239999999999995 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.465 " H2'" ' C8 ' ' B' ' 206' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.833 2 C1'-O4'-C4' 117.348 8.609 . 0.132 1L . 72.439999999999998 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . 0.465 ' C8 ' " H2'" ' B' ' 205' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.846 8.051 . 0.0 OUTLIER zeta-1 72.420000000000002 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 117.299 8.554 . 0.0 OUTLIER . 73.239999999999995 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 3 C1'-O4'-C4' 116.945 8.161 . 0.0 OUTLIER . 75.019999999999996 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.746 7.94 . 0.461 1L . 75.120000000000005 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 O4'-C4'-C3' 93.945 -8.254 . 0.475 1a . 74.439999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 116.712 7.903 . 0.755 1a . 75.430000000000007 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.744 7.938 . 0.01 1a . 73.209999999999994 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 O4'-C4'-C3' 94.098 -8.144 . 0.754 1a . 73.439999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 C1'-O4'-C4' 117.219 8.465 . 0.0 OUTLIER . 72.420000000000002 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 116.85 8.056 . 0.0 OUTLIER . 65.439999999999998 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.265 8.516 . 0.151 1L . 74.439999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 116.787 7.985 . 0.0 OUTLIER gamma 74.510000000000005 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.473 " O2'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.238 2 O4'-C4'-C3' 91.39 -10.078 OUTLIER-EPSILON 0.0 OUTLIER . 74.25 . . . . . . . . . . 4 4 . 1 . 018 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.473 ' OP1' " O2'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.322 -10.921 1 C5'-C4'-O4' 120.888 8.348 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 75.450000000000003 . . . . . . . . . . 5 4 . 1 . 018 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 1 O4'-C4'-C3' 89.648 -11.323 . 0.0 OUTLIER delta-1 74.310000000000002 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.917 8.13 . 0.056 1L . 75.310000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 117.269 8.521 . 0.0 OUTLIER gamma 73.349999999999994 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.493 3 C1'-O4'-C4' 117.645 8.939 . 0.075 1a . 71.439999999999998 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 94.054 -8.176 . 0.0 OUTLIER . 73.329999999999998 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.875 2 C1'-O4'-C4' 117.11 8.344 . 0.01 1L . 73.310000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.738 7.931 . 0.801 1L . 75.310000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.811 8.013 . 0.015 1L . 74.510000000000005 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 93.132 -8.835 . 0.157 1a . 70.099999999999994 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.859 8.065 . 0.109 1a . 74.439999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.827 8.03 . 0.271 1a . 72.310000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 116.747 7.941 . 0.405 1a . 74.010000000000005 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 93.854 -8.318 . 0.823 1a . 74.219999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 C1'-O4'-C4' 117.078 8.309 . 0.375 1a . 75.450000000000003 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.826 8.029 . 0.34 1a . 74.549999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.536 -0.226 . . . . 61.140000000000001 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.65 151.43 37.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 71.219999999999999 110.942 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.73 21.15 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 63.450000000000003 111.128 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.82 133.34 37.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.230000000000004 110.875 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.98 -22.8 37.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 52.210000000000001 112.525 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.34 122.73 46.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 119.252 -0.404 . . . . 63.100000000000001 110.958 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -72.16 149.73 44.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 72.219999999999999 108.277 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.402 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 6.1 t80 -115.11 -23.29 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.999 -1.0 . . . . 71.129999999999995 110.935 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -66.54 -43.56 84.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 72.329999999999998 111.145 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -111.77 -38.28 4.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 53.119999999999997 108.201 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.64 34.89 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.063 -0.972 . . . . 64.409999999999997 112.444 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -101.89 115.19 65.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.739 . . . . 65.329999999999998 110.868 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 91.3 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 73.109999999999999 112.37 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.91 -42.84 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 71.540000000000006 112.51 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -120.94 -176.04 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 65.209999999999994 110.81 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.91 175.98 8.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 70.519999999999996 110.954 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -52.93 -39.17 62.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 71.310000000000002 110.951 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.65 -18.72 55.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 111.095 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -130.1 24.04 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 72.340000000000003 110.956 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.9 t -78.07 124.31 86.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 122.786 1.279 . . . . 33.140000000000001 108.283 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -11.91 31.73 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.746 2.297 . . . . 73.310000000000002 112.317 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.52 0.13 44.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 74.099999999999994 110.887 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -86.13 -25.72 25.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 70.049999999999997 110.872 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.26 145.79 39.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 65.340000000000003 110.86 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.0 163.86 39.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 73.329999999999998 110.878 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.8 p -163.34 79.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 72.340000000000003 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.09 53.35 0.59 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 74.349999999999994 112.433 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -178.93 141.11 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.892 0.377 . . . . 65.140000000000001 110.874 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.36 115.08 26.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 73.299999999999997 110.834 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -138.68 59.77 1.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.495 . . . . 74.010000000000005 110.823 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 56.48 27.11 11.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.040000000000006 110.865 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -102.45 172.6 6.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 71.319999999999993 110.872 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.7 t -123.33 117.39 25.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 53.530000000000001 108.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 28.87 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.987 -1.006 . . . . 74.049999999999997 110.955 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.842 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -126.04 -36.19 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 72.120000000000005 110.907 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.82 14.38 5.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 72.329999999999998 108.319 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m120 59.44 20.86 9.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.99 -1.005 . . . . 50.140000000000001 110.916 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.96 158.18 47.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.732 . . . . 71.010000000000005 112.5 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.7 mtm -124.42 98.32 5.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 63.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.22 -57.32 0.51 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 62.210000000000001 112.494 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -87.35 -173.42 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 73.230000000000004 110.861 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -118.99 151.79 37.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 71.150000000000006 110.859 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.842 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.37 -37.63 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 61.240000000000002 111.101 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -61.83 -22.49 65.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 72.010000000000005 110.91 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -117.28 16.75 14.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 63.439999999999998 110.925 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t -86.77 138.27 31.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 52.509999999999998 108.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 54.75 27.51 8.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.0 -1.0 . . . . 74.420000000000002 110.887 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -136.12 156.01 49.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 65.450000000000003 110.923 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -111.96 -53.74 2.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.296 -0.411 . . . . 73.519999999999996 110.938 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 63.210000000000001 110.856 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.058 2 O4'-C4'-C3' 93.754 -8.39 . 0.0 '__' . 75.230000000000004 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 117.185 8.427 . 0.605 1a . 74.310000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.76 7.955 . 0.662 1a . 74.109999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 116.86 8.067 . 0.705 1a . 73.140000000000001 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 O4'-C4'-C3' 94.004 -8.211 . 0.774 1a . 73.099999999999994 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 O4'-C4'-C3' 93.139 -8.829 . 0.749 1a . 72.349999999999994 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.079 2 O4'-C4'-C3' 94.108 -8.137 . 0.542 1a . 73.299999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 94.208 -8.066 . 0.778 1a . 74.120000000000005 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.789 -9.079 . 0.041 1g . 71.430000000000007 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 117.118 8.353 . 0.0 OUTLIER . 75.239999999999995 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 93.78 -8.372 . 0.37 9a . 75.319999999999993 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 116.86 8.067 . 0.756 1a . 73.439999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.776 7.973 . 0.718 1a . 62.43 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.968 8.186 . 0.853 1a . 73.099999999999994 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 93.1 -8.857 . 0.742 1a . 74.400000000000006 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 94.036 -8.188 . 0.0 OUTLIER . 72.219999999999999 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 O4'-C4'-C3' 94.053 -8.177 . 0.0 OUTLIER . 75.400000000000006 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.792 7.992 . 0.378 1a . 75.209999999999994 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 O4'-C4'-C3' 93.584 -8.512 . 0.838 1a . 64.310000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 117.143 8.381 . 0.418 1a . 73.420000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 3 O4'-C4'-C3' 93.186 -8.796 . 0.66 1a . 72.219999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.056 2 C1'-O4'-C4' 117.201 8.445 . 0.049 1L . 75.140000000000001 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.811 8.012 . 0.0 OUTLIER . 74.439999999999998 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.928 8.142 . 0.0 OUTLIER gamma 72.150000000000006 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.076 2 C1'-O4'-C4' 117.161 8.401 . 0.045 1f . 75.400000000000006 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.819 8.021 . 0.0 OUTLIER . 73.140000000000001 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.793 7.992 . 0.01 1g . 74.239999999999995 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.876 8.085 . 0.0 OUTLIER . 75.349999999999994 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.831 8.034 . 0.455 1a . 71.120000000000005 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 116.87 8.078 . 0.177 1a . 64.409999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 116.745 7.939 . 0.855 1a . 75.409999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.052 2 O4'-C4'-C3' 93.972 -8.234 . 0.652 1a . 72.540000000000006 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 116.817 8.019 . 0.561 1a . 70.409999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.75 7.945 . 0.558 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.85 8.056 . 0.666 1a . 75.420000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 93.603 -8.498 . 0.746 1a . 74.340000000000003 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.845 2 C1'-O4'-C4' 116.762 7.958 . 0.653 1a . 75.329999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 O4'-C4'-C3' 91.491 -10.007 . 0.257 1f . 75.040000000000006 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.046 1 C1'-O4'-C4' 103.935 -6.294 OUTLIER-DELTA 0.0 OUTLIER gamma 73.310000000000002 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.943 8.158 . 0.0 OUTLIER '7D dist 5d' 72.420000000000002 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.043 2 C1'-O4'-C4' 117.234 8.483 . 0.0 OUTLIER '7D dist 3g wannabe' 74.030000000000001 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 92.287 -9.438 . 0.0 OUTLIER . 73.230000000000004 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.856 2 O4'-C4'-C3' 92.614 -9.204 . 0.709 1a . 72.109999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 94.25 -8.035 . 0.354 1a . 72.329999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 C1'-O4'-C4' 116.929 8.144 . 0.497 1a . 73.409999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.26 8.511 . 0.186 1L . 74.209999999999994 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 3 C1'-O4'-C4' 116.836 8.04 . 0.0 OUTLIER zeta-1 74.409999999999997 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.228 8.476 . 0.0 OUTLIER . 72.319999999999993 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 3 C1'-O4'-C4' 116.991 8.212 . 0.0 OUTLIER . 74.230000000000004 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 116.776 7.973 . 0.461 1L . 75.540000000000006 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.178 8.421 . 0.46 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 116.753 7.948 . 0.843 1a . 74.510000000000005 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 116.753 7.947 . 0.584 1a . 73.239999999999995 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.827 8.03 . 0.46 1a . 74.400000000000006 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 116.795 7.994 . 0.0 OUTLIER zeta-1 75.140000000000001 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.798 7.998 . 0.492 1a . 74.010000000000005 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 C1'-O4'-C4' 117.226 8.473 . 0.23 1L . 74.519999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 O4'-C4'-C3' 94.174 -8.09 . 0.47 1a . 75.510000000000005 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.402 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 O4'--C4' 1.427 -2.183 2 O4'-C4'-C3' 92.22 -9.486 OUTLIER-EPSILON 0.0 OUTLIER gamma 73.239999999999995 . . . . . . . . . . 4 4 . 1 . 019 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.4 ' OP2' " C5'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.389 -5.321 2 C1'-O4'-C4' 118.092 9.435 . 0.0 OUTLIER epsilon-1 74.530000000000001 . . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 1 O4'-C4'-C3' 91.015 -10.346 . 0.0 OUTLIER gamma 74.230000000000004 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.513 7.681 . 0.047 1a . 72.409999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.83 2 C1'-O4'-C4' 117.184 8.427 . 0.107 1a . 75.299999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . 0.571 " O2'" " O5'" ' B' ' 224' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.452 2 C1'-O4'-C4' 117.838 9.153 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 75.019999999999996 . . . . . . . . . . 5 4 . 1 . 019 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . 0.571 " O5'" " O2'" ' B' ' 223' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 91.771 -9.806 . 0.0 OUTLIER epsilon-1 71.230000000000004 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 117.26 8.511 . 0.018 1L . 72.109999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.79 7.989 . 0.268 1a . 74.439999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.797 7.996 . 0.0 OUTLIER . 74.120000000000005 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.902 8.113 . 0.788 1a . 74.109999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.816 8.017 . 0.722 1a . 73.319999999999993 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.767 7.963 . 0.562 1a . 74.519999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.84 8.044 . 0.501 1a . 73.239999999999995 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 O4'-C4'-C3' 94.056 -8.174 . 0.71 1a . 75.109999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 117.072 8.302 . 0.644 1a . 74.510000000000005 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 116.804 8.005 . 0.679 1a . 74.129999999999995 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.467 -0.253 . . . . 62.409999999999997 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.49 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 73.040000000000006 110.803 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.43 15.9 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 61.530000000000001 111.111 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 131.13 45.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 73.340000000000003 110.839 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.55 -22.47 40.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 71.329999999999998 112.481 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.01 118.94 37.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 119.326 -0.368 . . . . 61.439999999999998 110.896 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.3 t -66.84 150.43 49.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 74.140000000000001 108.311 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.407 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.3 t80 -115.69 -23.96 8.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.012 -0.995 . . . . 73.129999999999995 110.863 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.8 m -65.99 -43.49 87.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 73.230000000000004 111.099 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.64 -37.99 5.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 73.140000000000001 108.265 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.19 35.16 4.0 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.017 -0.992 . . . . 21.25 112.47 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -100.16 118.36 61.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.585 0.707 . . . . 74.200000000000003 110.906 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 91.26 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.676 2.25 . . . . 73.409999999999997 112.365 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.24 -63.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 75.239999999999995 112.467 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -96.67 -174.32 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 71.140000000000001 110.884 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.68 175.34 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 73.340000000000003 110.885 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -51.5 -43.94 62.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 73.200000000000003 110.847 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.62 50.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 63.020000000000003 111.088 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.32 28.87 5.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 73.409999999999997 110.947 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.9 t -79.86 120.91 81.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.768 1.271 . . . . 73.219999999999999 108.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -13.83 35.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.259 . . . . 71.310000000000002 112.349 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.18 0.33 48.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 54.43 110.941 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.98 102.28 5.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 52.450000000000003 110.877 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 58.93 82.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.120000000000005 110.877 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.79 115.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 74.140000000000001 110.891 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.74 -59.89 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 74.519999999999996 110.878 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.74 117.54 4.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 64.340000000000003 112.547 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -147.19 -43.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.38 . . . . 74.120000000000005 110.875 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 t -113.85 177.25 4.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.010000000000005 110.843 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -120.21 39.89 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 71.439999999999998 110.875 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -116.49 26.83 9.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 74.049999999999997 110.876 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -102.88 173.1 6.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 60.350000000000001 110.895 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.2 t -123.96 117.19 24.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 73.319999999999993 108.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.06 28.21 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.982 -1.008 . . . . 75.299999999999997 110.917 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.838 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.25 -36.4 2.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.510000000000005 110.933 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.56 14.43 6.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 64.120000000000005 108.283 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.46 20.79 9.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.004 -0.998 . . . . 74.209999999999994 110.9 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.2 157.86 48.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 71.5 112.449 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mtp -124.33 98.7 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 73.200000000000003 110.947 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.17 -56.57 0.52 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 52.399999999999999 112.501 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -88.27 -173.51 4.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 71.540000000000006 110.805 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -118.43 151.89 36.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 64.319999999999993 110.929 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.838 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -58.26 -35.23 71.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 72.519999999999996 111.101 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -21.99 65.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 75.219999999999999 110.904 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.36 15.72 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.109999999999999 110.903 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.5 t -91.67 138.05 31.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 64.340000000000003 108.267 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 54.92 32.91 18.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.999 -1.0 . . . . 75.319999999999993 110.822 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -139.65 -46.04 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 62.43 110.89 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 61.87 28.45 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.450000000000003 110.848 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 74.439999999999998 110.861 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 92.771 -9.092 . 0.0 '__' . 73.129999999999995 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.87 8.077 . 0.714 1a . 74.450000000000003 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.812 8.013 . 0.668 1a . 71.430000000000007 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 O4'-C4'-C3' 94.074 -8.161 . 0.737 1a . 73.109999999999999 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 93.848 -8.323 . 0.771 1a . 74.510000000000005 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.062 2 O4'-C4'-C3' 93.723 -8.412 . 0.776 1a . 75.340000000000003 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 116.978 8.198 . 0.833 1a . 75.530000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 91.831 -9.764 . 0.8 1a . 75.409999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 1 O4'-C4'-C3' 90.859 -10.458 . 0.0 OUTLIER . 75.040000000000006 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 1 O4'-C4'-C3' 90.358 -10.816 . 0.0 OUTLIER gamma 73.010000000000005 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 92.457 -9.317 . 0.371 9a . 71.030000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.843 2 O4'-C4'-C3' 91.749 -9.822 . 0.0 OUTLIER '7D dist 1L' 64.129999999999995 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 116.788 7.987 . 0.01 1a . 73.409999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.831 2 C1'-O4'-C4' 116.941 8.156 . 0.761 1a . 73.299999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 93.038 -8.901 . 0.754 1a . 74.510000000000005 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 90.278 -10.873 . 0.0 OUTLIER . 74.239999999999995 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 3 O4'-C4'-C3' 93.511 -8.564 . 0.0 OUTLIER . 75.150000000000006 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 116.756 7.951 . 0.178 1a . 73.310000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 O4'-C4'-C3' 93.018 -8.916 . 0.797 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.077 2 O4'-C4'-C3' 93.266 -8.738 . 0.702 1a . 63.439999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.077 2 O4'-C4'-C3' 93.037 -8.902 . 0.659 1a . 75.430000000000007 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 117.19 8.434 . 0.023 1L . 74.299999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 1 O4'-C4'-C3' 90.967 -10.381 . 0.0 OUTLIER . 74.329999999999998 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 O4'-C4'-C3' 90.452 -10.748 . 0.05 1f . 73.140000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 1 O4'-C4'-C3' 91.012 -10.349 . 0.0 OUTLIER '7D dist 1c' 73.340000000000003 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.741 7.934 . 0.0 OUTLIER gamma 74.540000000000006 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.809 8.01 . 0.01 5j . 72.319999999999993 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 3 C1'-O4'-C4' 116.823 8.026 . 0.0 OUTLIER . 72.040000000000006 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.744 7.937 . 0.384 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 117.16 8.4 . 0.053 1a . 74.140000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.774 7.971 . 0.807 1a . 73.510000000000005 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 116.971 8.19 . 0.745 1a . 74.140000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.86 2 C1'-O4'-C4' 116.8 8.0 . 0.66 1a . 70.040000000000006 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.848 2 C1'-O4'-C4' 116.779 7.977 . 0.617 1a . 73.150000000000006 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 117.017 8.241 . 0.627 1a . 74.329999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 92.821 -9.057 . 0.777 1a . 73.510000000000005 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 C1'-O4'-C4' 116.742 7.936 . 0.497 1a . 75.510000000000005 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 O4'-C4'-C3' 93.836 -8.332 . 0.013 1f . 75.420000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 92.123 -9.555 . 0.0 OUTLIER . 74.239999999999995 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.91 8.122 . 0.069 5d . 75.150000000000006 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 116.33 7.478 . 0.0 OUTLIER gamma 70.040000000000006 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 90.494 -10.718 . 0.339 1e . 73.430000000000007 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 91.705 -9.854 . 0.514 1a . 74.340000000000003 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.018 2 O4'-C4'-C3' 92.831 -9.049 . 0.414 1a . 70.230000000000004 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 C1'-O4'-C4' 116.915 8.128 . 0.243 1a . 72.109999999999999 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.273 8.525 . 0.199 1L . 71.519999999999996 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 3 C1'-O4'-C4' 116.874 8.082 . 0.0 OUTLIER zeta-1 73.030000000000001 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 117.291 8.546 . 0.0 OUTLIER '7D dist &a' 74.530000000000001 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 3 C1'-O4'-C4' 117.016 8.24 . 0.0 OUTLIER . 73.129999999999995 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.77 7.967 . 0.458 1L . 75.439999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 117.232 8.48 . 0.469 1a . 73.340000000000003 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.87 2 C1'-O4'-C4' 116.83 8.033 . 0.609 1a . 75.010000000000005 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.864 8.071 . 0.549 1a . 72.329999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.775 7.972 . 0.605 1a . 71.510000000000005 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.839 8.043 . 0.0 OUTLIER zeta-1 75.140000000000001 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 94.012 -8.206 . 0.496 1a . 72.430000000000007 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 O4'-C4'-C3' 94.128 -8.123 . 0.329 1L . 74.239999999999995 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.806 2 O4'-C4'-C3' 94.17 -8.093 . 0.42 1a . 72.430000000000007 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 218' ' ' ' G' . . . . . 0.407 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 O4'--C4' 1.427 -2.161 2 O4'-C4'-C3' 91.868 -9.737 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.319999999999993 . . . . . . . . . . 4 4 . 1 . 020 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.411 ' O2 ' " H2'" ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.39 -5.281 2 C1'-O4'-C4' 118.057 9.397 . 0.0 OUTLIER epsilon-1 74.219999999999999 . . . . . . . . . . 4 3 . 1 . 020 nuclear build full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 1 O4'-C4'-C3' 91.214 -10.204 . 0.0 OUTLIER gamma 73.030000000000001 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.397 7.553 . 0.053 1a . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 C1'-O4'-C4' 117.201 8.445 . 0.154 1a . 75.340000000000003 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 223' ' ' ' U' . . . . . 0.58 " O2'" " O5'" ' B' ' 224' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.399 -4.516 2 C1'-O4'-C4' 117.714 9.016 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 73.409999999999997 . . . . . . . . . . 5 4 . 1 . 020 nuclear build full ' B' B ' 224' ' ' ' U' . . . . . 0.58 " O5'" " O2'" ' B' ' 223' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.026 2 O4'-C4'-C3' 91.702 -9.855 . 0.0 OUTLIER epsilon-1 73.5 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.071 2 C1'-O4'-C4' 117.167 8.408 . 0.03 1L . 74.430000000000007 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.782 7.98 . 0.243 1a . 74.450000000000003 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.842 8.047 . 0.0 OUTLIER . 75.439999999999998 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 O4'-C4'-C3' 93.136 -8.831 . 0.785 1a . 74.310000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.773 7.97 . 0.715 1a . 73.409999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.75 7.945 . 0.598 1a . 75.439999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.76 7.956 . 0.589 1a . 70.510000000000005 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.935 8.15 . 0.625 1a . 75.340000000000003 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 94.106 -8.138 . 0.729 1a . 73.340000000000003 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 116.794 7.993 . 0.687 1a . 75.219999999999999 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.813 0.339 . . . . 55.42 111.145 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 129.59 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.843 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.78 -25.45 16.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 75.22 112.563 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -112.85 116.38 29.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 119.341 -0.361 . . . . 75.25 110.902 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 t -68.32 147.02 52.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 73.15 108.317 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -111.86 -24.15 10.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.01 -0.996 . . . . 74.15 110.903 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -65.89 -41.35 91.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 70.24 111.091 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -113.07 -39.4 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 71.21 108.307 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.07 36.14 3.48 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.055 -0.975 . . . . 72.11 112.451 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.48 129.6 24.37 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.679 0.752 . . . . 63.44 110.858 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.82 167.25 25.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 45.35 112.324 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.73 -27.21 20.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 64.12 112.466 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -145.11 174.81 10.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 74.52 110.871 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.3 178.55 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 62.35 110.917 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -49.53 -43.25 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 72.52 110.9 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.55 -30.57 63.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 45.32 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -120.0 31.02 6.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 73.12 110.922 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 t -78.02 124.91 86.0 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 122.762 1.268 . . . . 71.14 108.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -13.1 34.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 33.42 112.35 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -97.39 0.26 47.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 72.15 110.901 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 61.41 110.898 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 119.318 -0.373 . . . . 71.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -123.85 117.5 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 55.42 108.303 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.0 29.63 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.982 -1.008 . . . . 54.44 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.776 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -126.97 -35.68 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.944 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.1 p -130.74 14.5 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 53.24 108.295 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 59.48 20.6 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.013 -0.994 . . . . 74.33 110.856 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.58 157.79 47.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 60.31 112.479 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 33.8 mtp -124.29 97.37 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 74.14 110.882 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.28 -57.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 75.4 112.521 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -87.27 -173.44 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 75.43 110.833 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -118.46 152.33 36.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 73.4 110.897 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.776 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -56.5 -40.09 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 60.12 111.076 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -22.0 65.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 71.25 110.88 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -117.35 18.85 14.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 54.54 110.964 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 72.2 108.307 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.808 0.337 . . . . 71.33 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.2 128.39 30.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.892 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.05 -28.03 14.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 74.21 112.433 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.67 124.51 46.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 119.359 -0.353 . . . . 61.13 110.884 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.4 t -75.23 150.55 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 42.41 108.284 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -115.5 -24.88 8.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.968 -1.015 . . . . 73.41 110.892 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -64.51 -43.2 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 75.42 111.131 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.94 -38.31 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 55.35 108.333 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 35.37 3.83 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 114.945 -1.025 . . . . 53.43 112.499 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -100.21 118.34 61.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.739 . . . . 60.3 110.899 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 91.16 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.732 2.288 . . . . 71.05 112.344 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.29 -62.2 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.69 -0.767 . . . . 65.3 112.464 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -98.42 -172.07 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.333 . . . . 73.23 110.896 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.39 177.98 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 63.31 110.889 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -51.21 -42.68 61.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 75.03 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.93 -25.77 61.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 64.13 111.031 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -123.22 27.95 7.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 63.01 110.993 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 t -83.94 124.05 75.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.726 1.25 . . . . 44.21 108.272 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -12.39 32.65 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.598 2.199 . . . . 55.01 112.353 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -98.17 0.19 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.916 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.01 110.873 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 119.327 -0.368 . . . . 74.13 110.813 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.5 t -119.38 117.57 28.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 64.32 108.313 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.67 31.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.039 -0.982 . . . . 73.43 110.906 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.68 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -128.71 -35.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.903 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.9 p -131.95 15.0 4.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 70.44 108.282 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.11 19.52 8.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.006 -0.997 . . . . 73.42 110.932 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.54 162.21 29.81 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.67 -0.776 . . . . 64.22 112.497 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.5 ttp -129.71 91.74 3.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 72.23 110.889 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.45 -55.4 0.46 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 53.41 112.461 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -88.4 -173.78 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 72.12 110.858 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.56 151.71 36.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 65.24 110.858 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.68 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -54.86 -43.08 72.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 65.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.76 -23.68 63.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.87 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.48 18.57 16.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 63.13 110.984 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.4 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 75.03 108.32 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.813 0.34 . . . . 73.13 111.146 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 135.36 28.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 43.04 110.868 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.52 -22.24 41.24 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.742 -0.742 . . . . 41.42 112.446 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.38 122.01 46.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 119.339 -0.363 . . . . 61.44 110.934 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.0 t -68.84 150.66 47.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 72.14 108.336 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -116.11 -23.94 8.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.015 -0.993 . . . . 71.12 110.88 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.3 m -65.87 -43.74 87.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 63.24 111.143 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 p -111.47 -38.08 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 74.43 108.276 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.11 35.35 3.97 Favored Glycine 0 N--CA 1.452 -0.243 0 CA-C-N 114.992 -1.004 . . . . 74.02 112.489 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -100.68 118.91 59.92 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.747 . . . . 63.43 110.912 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 93.98 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.743 2.296 . . . . 63.44 112.307 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.23 -64.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 63.32 112.507 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -96.0 -173.85 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 75.04 110.848 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.62 176.32 8.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.439 . . . . 62.44 110.995 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -51.45 -42.95 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 75.43 110.982 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.43 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 73.24 111.093 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -122.73 26.26 8.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 72.53 110.898 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -81.05 124.17 81.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 122.842 1.306 . . . . 74.4 108.283 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -12.05 32.17 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.625 2.216 . . . . 63.44 112.396 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.53 0.35 44.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 72.43 110.856 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.41 110.88 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 119.32 -0.371 . . . . 71.44 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.6 t -124.3 117.19 23.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 74.14 108.349 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.0 27.88 2.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.99 -1.005 . . . . 73.35 110.955 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.839 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -124.96 -36.19 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 74.12 110.959 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.8 14.48 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 41.13 108.285 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.43 20.71 9.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.035 -0.984 . . . . 71.14 110.892 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.19 157.59 49.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 65.13 112.447 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.2 mtp -124.09 98.5 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 74.41 110.889 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.4 -56.98 0.51 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.758 -0.734 . . . . 65.15 112.479 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -87.7 -173.65 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 71.03 110.873 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -118.34 151.46 37.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.31 110.907 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.839 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -58.13 -34.88 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 42.41 111.086 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -22.55 66.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 60.23 110.867 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -115.41 14.76 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 52.33 110.938 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 64.42 108.276 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.871 0.367 . . . . 74.34 111.154 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -51.12 134.88 26.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 73.33 110.839 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.0 -22.59 40.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.69 -0.767 . . . . 74.51 112.443 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.8 124.76 50.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 119.301 -0.381 . . . . 72.35 110.92 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.65 147.99 43.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 60.31 108.288 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -115.15 -22.56 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.003 -0.999 . . . . 54.22 110.916 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.2 m -67.52 -42.66 82.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.146 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.3 p -111.92 -36.72 5.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 64.41 108.325 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.99 34.69 4.5 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 114.992 -1.004 . . . . 43.22 112.49 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -105.12 115.32 62.47 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.661 0.743 . . . . 75.32 110.9 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 97.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.711 2.274 . . . . 71.41 112.328 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.13 -34.7 0.26 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 74.13 112.516 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -130.81 -173.72 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 72.35 110.894 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 177.77 7.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.881 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -51.29 -43.3 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 72.41 110.885 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.96 -25.54 63.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 74.01 111.061 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -121.15 26.59 8.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 74.34 110.891 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -80.96 124.25 81.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.786 1.279 . . . . 65.34 108.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -12.33 32.61 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.664 2.243 . . . . 53.11 112.29 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 0.51 44.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 74.41 110.895 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.934 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.1 ttt-85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 119.361 -0.352 . . . . 72.02 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.7 t -124.61 116.8 23.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 71.25 108.247 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -94.08 30.44 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.003 -0.999 . . . . 71.14 110.917 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.733 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -127.62 -35.35 2.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 61.24 110.906 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.0 p -131.97 15.25 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.384 1.053 . . . . 71.45 108.336 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m120 59.28 20.38 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.994 -1.003 . . . . 71.54 110.912 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.94 156.48 47.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 50.13 112.505 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.6 tpt -123.79 93.38 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 65.32 110.875 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.42 -57.39 0.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.822 -0.704 . . . . 42.23 112.5 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -86.89 -173.37 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 73.22 110.88 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -118.28 151.03 38.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 71.42 110.904 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.733 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.22 -44.37 75.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.098 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -58.55 -22.22 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 72.43 110.907 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -116.63 17.38 15.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.02 110.886 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 73.24 108.25 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.796 0.331 . . . . 35.1 111.101 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -56.41 128.4 35.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 71.44 110.864 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.4 -22.98 37.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.672 -0.775 . . . . 74.52 112.506 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.05 117.56 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 119.303 -0.379 . . . . 75.41 110.923 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 t -66.36 150.35 49.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 63.14 108.367 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -115.35 -23.92 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.083 -0.962 . . . . 75.04 110.962 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.4 ' HG1' ' CD ' ' A' ' 31' ' ' GLN . 17.0 m -65.86 -44.03 86.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 73.33 111.086 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 p -111.46 -37.98 5.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 73.4 108.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 34.87 4.02 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 114.976 -1.011 . . . . 73.44 112.504 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.43 118.1 62.81 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.644 0.735 . . . . 75.54 110.889 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 89.61 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.716 2.277 . . . . 72.33 112.302 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.96 -62.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 52.42 112.491 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -98.05 -174.25 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 75.21 110.819 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.37 175.82 8.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 74.11 110.913 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.4 ' CD ' ' HG1' ' A' ' 23' ' ' THR . 0.4 OUTLIER -51.27 -42.84 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.886 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.93 -24.68 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.055 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -122.01 25.88 8.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 74.42 110.858 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 t -81.23 124.14 81.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 122.798 1.285 . . . . 55.41 108.339 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -11.88 31.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 71.25 112.311 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.2 -0.03 44.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.04 110.872 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.26 -0.427 . . . . 73.3 110.876 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 119.315 -0.374 . . . . 72.22 110.83 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.6 t -124.76 117.06 23.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 60.14 108.281 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -94.93 28.54 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.982 -1.008 . . . . 61.44 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.822 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.5 -36.11 2.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 71.44 110.911 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.0 p -130.05 14.55 5.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 72.41 108.315 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.44 20.76 9.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.941 -1.027 . . . . 52.13 110.845 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.98 157.65 48.55 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 61.23 112.535 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -124.57 97.52 5.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.348 . . . . 62.43 110.872 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.53 -56.8 0.5 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 53.35 112.442 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -87.81 -173.62 4.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 74.35 110.851 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -117.79 151.49 37.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.916 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.822 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.72 -36.99 72.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 62.02 111.186 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -21.5 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 72.32 110.901 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.22 15.42 15.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 72.02 110.912 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.2 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 73.42 108.322 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.768 0.318 . . . . 41.42 111.133 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.54 88.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 62.21 110.891 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.72 -8.68 1.8 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.664 -0.779 . . . . 64.32 112.42 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.13 119.9 36.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 119.299 -0.381 . . . . 74.2 110.978 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.4 t -61.89 141.71 57.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 65.31 108.29 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -109.49 39.31 2.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.042 -0.981 . . . . 74.21 110.914 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 m -140.27 -48.11 0.44 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 64.1 111.118 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -110.38 -37.52 5.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 35.43 108.231 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 30.16 4.27 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.003 -0.999 . . . . 70.03 112.491 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -100.23 118.53 61.16 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.639 0.733 . . . . 73.34 110.887 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 98.41 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.711 2.274 . . . . 61.41 112.335 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.88 -67.61 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 63.13 112.47 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -92.15 171.45 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 71.14 110.874 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -114.01 174.01 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 71.54 110.907 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -51.93 -40.98 61.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 60.03 110.903 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.92 -23.41 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 51.43 111.094 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.97 18.48 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 63.34 110.921 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.35 124.13 90.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.808 1.29 . . . . 75.3 108.263 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -13.32 34.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.637 2.224 . . . . 73.33 112.336 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.47 0.14 47.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 53.01 110.894 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 75.15 110.907 179.856 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 119.376 -0.345 . . . . 65.13 110.87 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.9 t -124.66 117.14 23.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 74.51 108.343 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.79 28.61 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.039 -0.982 . . . . 44.12 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.804 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.78 -35.99 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 62.14 110.936 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.1 p -130.1 14.42 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 72.43 108.286 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.35 20.82 9.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.01 -0.996 . . . . 73.34 110.9 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.03 156.97 49.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 70.21 112.498 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.64 97.38 5.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 53.13 110.818 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.64 -57.92 0.48 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 75.43 112.511 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -86.6 -173.53 4.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.766 0.317 . . . . 75.41 110.834 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -118.29 151.46 37.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 73.51 110.894 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.804 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.9 -36.01 71.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 75.3 111.056 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -62.37 -22.17 65.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.89 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -115.86 15.37 16.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 63.23 110.863 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 72.05 108.315 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.706 0.289 . . . . 42.41 111.102 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.54 134.39 50.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.946 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.42 -22.33 40.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 71.52 112.501 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.89 144.76 25.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 119.299 -0.381 . . . . 73.32 110.948 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.3 t -99.47 152.35 20.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 73.42 108.297 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -110.84 -30.1 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.984 -1.007 . . . . 74.23 110.88 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.5 m -62.32 -47.4 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 70.22 111.087 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.1 p -106.7 -40.23 5.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 70.51 108.302 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.34 37.53 4.02 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.028 -0.987 . . . . 62.24 112.516 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.26 120.91 46.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 74.53 110.874 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 83.99 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.684 2.256 . . . . 74.4 112.38 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.37 -33.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 75.32 112.467 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -136.78 -178.38 5.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 74.22 110.914 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.46 165.07 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.865 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -51.51 -38.52 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 74.1 110.925 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.49 50.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 53.11 111.105 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -127.43 31.49 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 53.25 110.919 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.7 t -73.6 126.23 89.94 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 122.851 1.31 . . . . 62.12 108.304 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -11.94 31.93 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 73.32 112.36 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.62 -0.57 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.886 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.882 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 119.289 -0.386 . . . . 73.4 110.821 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t -123.68 117.38 24.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 70.34 108.364 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.07 29.17 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.012 -0.995 . . . . 61.11 110.939 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.815 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -126.59 -35.93 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.861 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.8 p -130.35 14.35 5.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.62 1.2 . . . . 62.41 108.345 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 59.34 20.92 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.997 -1.001 . . . . 55.45 110.848 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.32 158.08 48.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 44.2 112.49 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -124.57 98.72 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 74.21 110.84 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.25 -57.82 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 74.13 112.453 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -86.42 -173.52 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 73.04 110.862 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -118.53 150.73 39.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 72.31 110.873 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.815 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.98 -39.94 72.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 70.33 111.149 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -61.7 -23.24 65.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.875 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.66 17.08 15.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 63.01 110.852 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.7 t . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 74.34 108.284 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.855 0.36 . . . . 72.4 111.125 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -64.56 87.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.878 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.92 -18.28 0.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 64.22 112.432 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.85 112.56 24.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 119.348 -0.358 . . . . 64.33 110.826 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -55.26 138.76 44.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 64.13 108.341 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -106.26 39.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.029 -0.987 . . . . 74.13 110.88 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.0 m -139.87 -48.64 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.32 111.147 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -110.47 -37.36 5.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 53.52 108.319 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.72 31.04 4.07 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.021 -0.99 . . . . 44.11 112.43 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -98.85 118.49 62.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.687 0.756 . . . . 64.11 110.814 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 91.92 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.624 2.216 . . . . 40.51 112.384 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 167.88 -70.04 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 64.14 112.499 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -88.78 172.16 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.309 . . . . 71.45 110.958 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.13 173.2 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 73.44 110.881 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -50.41 -41.91 52.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 74.32 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.84 -29.48 69.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 15.22 111.105 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -109.92 18.05 20.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 62.11 110.908 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.1 t -74.62 124.01 89.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.736 1.255 . . . . 73.23 108.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -12.73 33.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.71 2.273 . . . . 64.53 112.316 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -98.54 0.27 44.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 72.03 110.895 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.925 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 119.311 -0.376 . . . . 71.52 110.916 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -123.6 117.13 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 73.23 108.292 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.01 29.09 2.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.985 -1.007 . . . . 70.11 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.78 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -126.19 -35.79 2.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.901 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.6 p -130.29 14.24 5.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 62.22 108.344 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.91 20.38 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.99 -1.004 . . . . 63.55 110.883 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.53 159.29 45.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 75.42 112.442 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.9 mtp -126.49 96.82 4.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 74.24 110.845 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.29 -56.63 0.49 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 75.21 112.436 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -87.34 -174.16 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 71.1 110.873 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -117.71 148.14 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 64.2 110.904 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.78 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -53.22 -46.33 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 44.32 111.089 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -27.31 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 73.31 110.862 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -98.59 -17.63 18.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.55 110.852 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 74.32 108.33 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.832 0.348 . . . . 61.23 111.131 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.73 131.28 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.14 110.833 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.36 -28.9 10.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 34.33 112.494 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.1 120.12 41.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 119.308 -0.377 . . . . 70.04 110.96 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.8 t -68.18 150.22 48.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 54.5 108.266 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -114.7 -24.83 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.001 -0.999 . . . . 74.25 110.887 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.0 m -64.54 -44.22 91.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 72.22 111.115 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.7 p -112.74 -38.16 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 34.14 108.259 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.29 34.73 4.11 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.024 -0.989 . . . . 62.21 112.488 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 t -98.7 120.47 58.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.676 0.751 . . . . 73.45 110.905 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 92.03 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.669 2.246 . . . . 72.35 112.373 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.23 -68.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 71.11 112.474 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -91.47 -172.15 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.744 0.306 . . . . 73.34 110.861 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.99 177.09 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 65.2 110.856 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -50.5 -44.58 56.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 72.15 110.924 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.27 52.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 62.21 111.108 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -124.9 31.52 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.909 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.3 t -83.22 120.78 76.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.773 1.273 . . . . 74.14 108.351 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -14.28 35.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 72.41 112.373 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -96.3 0.32 50.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 73.11 110.925 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 62.14 110.916 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 119.309 -0.377 . . . . 73.51 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.9 t -125.05 116.83 22.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 75.22 108.24 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.88 28.77 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.997 -1.001 . . . . 75.01 110.904 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.829 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.64 -35.93 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.42 110.88 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.8 p -130.29 14.37 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 70.12 108.294 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 59.72 20.45 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.979 -1.009 . . . . 74.52 110.85 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.24 157.5 49.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 64.31 112.502 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.36 97.94 5.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 65.24 110.812 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.21 -57.9 0.49 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.778 -0.725 . . . . 43.42 112.564 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -86.12 -173.69 4.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.786 0.327 . . . . 71.05 110.855 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -117.42 150.39 38.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.829 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.54 -37.65 73.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 73.52 111.085 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -21.9 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 61.01 110.871 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -114.81 13.76 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 71.32 110.96 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 63.44 108.325 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.866 0.365 . . . . 75.13 111.111 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 130.28 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.923 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.74 -28.71 13.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 60.55 112.541 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.6 112.84 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 119.285 -0.388 . . . . 73.14 110.912 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 t -71.58 146.84 48.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 51.31 108.285 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -111.93 -24.7 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.038 -0.983 . . . . 73.31 110.901 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -65.59 -40.8 93.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 73.12 111.1 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.0 p -112.62 -39.0 4.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 61.13 108.279 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.42 38.34 3.29 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.035 -0.984 . . . . 63.25 112.507 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.83 129.56 23.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.733 0.778 . . . . 52.24 110.844 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 170.53 16.43 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.584 2.19 . . . . 71.54 112.34 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.37 -18.36 57.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 41.14 112.551 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -154.46 171.52 19.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 64.22 110.88 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.99 179.3 5.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.226 -0.443 . . . . 71.15 110.869 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.98 -43.52 40.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 75.21 110.87 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.19 -31.4 65.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 45.13 111.085 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -117.52 29.65 7.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 74.1 110.836 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 t -77.89 124.73 86.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.774 1.273 . . . . 54.54 108.344 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.79 -10.57 28.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 73.31 112.28 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -100.79 0.39 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.853 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 74.21 110.912 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 119.308 -0.377 . . . . 64.14 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -124.48 117.17 23.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 70.43 108.309 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -94.99 28.55 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.956 -1.02 . . . . 75.41 110.94 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.84 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.53 -36.19 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 70.21 110.955 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.0 p -129.93 14.53 5.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 41.01 108.269 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 59.41 20.67 9.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.003 -0.999 . . . . 75.43 110.886 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.04 157.49 48.85 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 62.44 112.47 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -124.07 97.87 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 61.1 110.891 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.0 -57.31 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 40.24 112.466 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -87.18 -173.57 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 45.14 110.888 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -118.31 151.22 38.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.937 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.84 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -58.09 -35.23 71.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 65.24 111.081 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -22.28 66.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.891 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -115.61 14.9 16.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 73.24 110.901 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 61.11 108.37 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.813 0.339 . . . . 75.33 111.139 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 128.52 24.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.94 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.61 -27.95 16.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.789 -0.72 . . . . 74.15 112.505 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.68 124.57 48.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 119.288 -0.387 . . . . 53.03 110.922 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.1 t -73.44 150.47 41.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 74.15 108.295 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -115.69 -24.22 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.002 -0.999 . . . . 73.2 110.891 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.3 m -65.22 -43.46 91.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 51.34 111.154 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -112.69 -38.07 4.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 72.45 108.249 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.6 35.03 3.92 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.075 -0.966 . . . . 75.33 112.472 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.58 119.57 59.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 75.3 110.848 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 92.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.757 2.304 . . . . 53.24 112.336 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.89 -67.1 0.2 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 41.44 112.514 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -92.83 -172.7 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 74.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.18 177.7 7.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 73.15 110.963 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -50.28 -43.14 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.04 110.881 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.26 -29.47 63.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 74.35 111.083 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -119.26 28.28 8.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 54.13 110.997 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.0 t -84.2 124.16 74.4 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 122.804 1.287 . . . . 61.15 108.278 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -12.52 33.05 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.672 2.248 . . . . 72.03 112.301 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.62 0.7 45.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 74.1 110.906 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.88 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 119.283 -0.389 . . . . 72.21 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -123.44 117.38 25.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 72.23 108.288 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.27 28.66 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.995 -1.002 . . . . 74.15 110.845 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.813 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.78 -36.1 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.929 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.94 14.47 5.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 72.03 108.362 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.39 20.68 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.966 -1.015 . . . . 75.01 110.912 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.77 158.47 47.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.784 -0.722 . . . . 64.25 112.542 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 ttt -125.06 97.93 5.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.894 0.378 . . . . 74.35 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.73 -57.46 0.5 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 72.4 112.514 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -86.83 -173.67 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 73.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -118.12 151.63 37.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.935 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.813 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.6 -37.11 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 51.51 111.021 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -62.17 -22.15 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 64.53 110.882 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -116.46 16.31 15.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 73.35 110.947 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 75.42 108.415 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.35 . . . . 75.31 111.111 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 135.0 28.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 71.12 110.815 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.09 -22.63 39.68 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 61.2 112.468 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.18 122.86 47.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.319 -0.372 . . . . 74.44 110.876 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.1 t -69.45 150.67 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 71.12 108.306 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -116.14 -23.82 8.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.022 -0.99 . . . . 75.22 110.879 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 m -66.07 -43.49 87.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.23 111.157 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.0 p -111.73 -37.97 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 73.12 108.276 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.02 35.27 4.02 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.026 -0.988 . . . . 73.12 112.462 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 t -100.59 119.07 59.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.646 0.736 . . . . 60.24 110.862 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 94.27 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 73.2 112.359 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.7 -65.7 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 70.34 112.51 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -94.41 -174.19 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 74.31 110.867 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.6 176.6 8.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 75.23 110.94 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -51.51 -42.84 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 51.4 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.25 61.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 61.42 111.077 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -122.93 26.22 8.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.903 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -81.11 124.14 81.3 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 122.775 1.274 . . . . 74.34 108.361 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -12.11 32.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.654 2.236 . . . . 53.03 112.326 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -98.75 0.58 44.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 74.44 110.891 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 75.43 110.927 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 119.204 -0.427 . . . . 54.12 110.958 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.8 t -118.46 118.26 31.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 74.51 108.349 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.23 31.43 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.016 -0.993 . . . . 63.5 110.928 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.75 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -129.27 -35.47 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.848 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 p -131.25 14.9 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 61.54 108.273 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.9 t30 59.17 20.65 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.981 -1.009 . . . . 71.43 110.932 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.83 160.21 38.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.786 -0.721 . . . . 72.22 112.487 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.01 95.32 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.331 . . . . 71.35 110.897 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.57 -57.93 0.48 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.723 -0.751 . . . . 74.31 112.449 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -86.41 -173.15 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 73.23 110.863 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -120.02 153.19 36.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 74.51 110.816 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.75 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.57 -42.99 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 71.51 111.118 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -21.61 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 71.4 110.894 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -121.8 24.91 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 64.35 110.892 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 74.24 108.25 -179.909 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.778 0.323 . . . . 63.51 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.61 129.75 40.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.865 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.65 -23.33 36.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 55.0 112.535 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.23 118.67 37.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 119.31 -0.376 . . . . 54.43 110.874 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -67.43 150.4 48.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 62.22 108.358 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -115.51 -24.25 8.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.113 -0.949 . . . . 64.35 110.967 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.5 m -65.45 -43.98 88.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 64.34 111.194 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.6 -38.02 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 75.14 108.254 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.39 34.95 4.01 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.018 -0.992 . . . . 22.12 112.482 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.47 118.28 62.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.758 . . . . 62.12 110.887 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 90.24 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.651 2.234 . . . . 74.04 112.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.07 -63.38 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.821 -0.704 . . . . 64.3 112.54 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -96.99 -173.92 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 52.32 110.849 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.04 176.13 8.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.861 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.4 -42.87 61.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 54.13 110.88 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.68 -25.32 62.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 65.14 111.07 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -121.65 26.12 8.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 71.04 110.913 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -81.34 124.21 80.71 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 122.793 1.282 . . . . 73.24 108.34 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -12.2 32.36 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.677 2.251 . . . . 63.32 112.379 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -97.8 0.04 46.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 64.33 110.874 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.845 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 119.352 -0.356 . . . . 72.12 110.835 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.4 t -118.74 118.6 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 62.2 108.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.11 31.62 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.93 -1.032 . . . . 64.31 110.889 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.751 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -129.82 -35.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 74.25 110.895 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 p -131.71 14.84 4.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 34.03 108.302 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 58.95 20.88 8.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.959 -1.019 . . . . 74.22 110.91 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.14 157.75 39.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 74.42 112.488 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.0 ttm -123.5 94.08 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 63.22 110.896 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.27 -56.91 0.48 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 74.33 112.468 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -88.03 -172.93 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.757 0.313 . . . . 74.33 110.852 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.32 154.14 36.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 74.05 110.846 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.751 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.67 -42.83 75.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 64.34 111.133 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -59.68 -22.33 61.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 61.24 110.865 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -122.86 26.22 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 61.13 110.867 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 73.15 108.319 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.75 0.31 . . . . 75.43 111.086 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -65.37 89.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 70.24 110.902 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.32 -9.95 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 44.32 112.493 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.22 118.78 33.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 119.36 -0.352 . . . . 72.04 110.928 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.7 t -60.57 142.33 55.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 64.4 108.289 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -110.3 38.87 2.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.002 -0.999 . . . . 71.34 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.6 m -139.93 -48.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 72.14 111.159 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.29 -37.57 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 74.44 108.263 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.27 30.16 4.25 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.002 -0.999 . . . . 62.12 112.453 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -100.09 118.36 61.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.683 0.754 . . . . 70.42 110.885 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 98.38 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 72.32 112.339 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.7 -67.18 0.25 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 40.12 112.509 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -92.38 171.17 9.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 71.3 110.905 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.39 173.33 6.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 73.53 110.989 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -50.18 -40.59 47.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 65.33 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.69 70.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 64.14 111.116 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -109.24 17.32 21.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 73.53 110.969 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -74.08 124.36 89.99 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 122.788 1.28 . . . . 75.11 108.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -12.01 32.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 2.285 . . . . 73.0 112.342 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -98.27 0.5 45.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 62.31 110.852 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 34.53 110.885 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 119.352 -0.356 . . . . 72.02 110.826 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -120.73 117.89 28.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 51.44 108.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -94.69 31.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.993 -1.003 . . . . 75.15 110.873 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.74 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -129.45 -35.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.889 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.2 p -131.85 15.06 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 73.54 108.371 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.13 19.22 8.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.936 -1.029 . . . . 72.23 110.937 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.44 162.59 28.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 63.41 112.483 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -132.21 90.9 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 73.12 110.837 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.95 -47.01 0.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 62.51 112.507 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -97.77 -173.85 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.826 0.346 . . . . 63.45 110.871 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -116.53 150.91 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 63.23 110.886 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.74 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.46 -40.99 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 60.43 111.079 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -60.64 -24.28 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 74.12 110.897 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -117.26 22.77 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 73.12 110.98 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 75.03 108.307 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.715 0.293 . . . . 52.33 111.077 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -63.48 88.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 71.14 110.866 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.69 -14.35 0.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 13.51 112.49 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.95 121.74 43.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 119.318 -0.373 . . . . 60.24 110.895 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -64.24 140.77 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 74.12 108.242 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -108.1 39.66 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.997 -1.001 . . . . 75.32 110.919 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.1 m -140.43 -48.38 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 72.32 111.122 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -110.54 -37.35 5.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 44.41 108.322 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.01 30.03 4.37 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 114.945 -1.025 . . . . 63.04 112.493 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -99.39 118.6 62.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 73.31 110.885 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 96.72 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.725 2.283 . . . . 71.21 112.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.38 -68.82 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 54.11 112.528 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -90.48 171.46 9.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 72.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -114.03 173.96 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.922 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.87 -40.78 63.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 65.1 110.92 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.78 -18.13 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.01 111.061 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.27 16.97 9.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 72.05 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.8 t -71.23 124.27 90.71 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.832 1.301 . . . . 51.43 108.266 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -12.96 33.89 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.684 2.256 . . . . 71.34 112.368 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -97.27 1.17 49.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 75.02 110.953 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.85 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 119.318 -0.372 . . . . 73.3 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.4 t -123.6 117.19 24.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 62.45 108.284 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.96 28.77 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.02 -0.991 . . . . 65.34 110.854 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.816 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.91 -36.09 2.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 64.2 110.9 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -130.06 14.35 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 63.33 108.333 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 59.61 20.78 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.969 -1.014 . . . . 75.51 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.96 158.11 48.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.776 -0.726 . . . . 74.44 112.455 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.0 ttm -124.63 97.73 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.839 0.352 . . . . 74.31 110.908 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.89 -57.69 0.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.69 -0.767 . . . . 62.02 112.464 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -86.55 -173.4 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 73.34 110.882 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.56 151.27 38.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.11 110.935 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.816 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.24 -37.71 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 71.32 111.042 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -22.22 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.875 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.64 16.04 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 70.12 110.886 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.1 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 73.32 108.343 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.717 0.294 . . . . 64.01 111.048 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 135.05 26.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 72.53 110.917 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.3 -22.22 41.97 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 70.34 112.512 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.04 123.4 48.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 119.251 -0.404 . . . . 52.52 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.21 148.32 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.614 1.196 . . . . 62.45 108.335 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -114.35 -23.42 9.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.002 -0.999 . . . . 65.31 110.914 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.7 m -66.74 -43.14 84.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 63.31 111.199 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -111.77 -36.94 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 72.32 108.288 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.59 35.29 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.022 -0.99 . . . . 70.51 112.471 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.2 m -106.0 115.4 61.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.639 0.733 . . . . 72.13 110.787 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 96.42 0.6 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.694 2.263 . . . . 54.24 112.306 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.2 -26.06 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.743 . . . . 15.42 112.493 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -140.72 -175.04 4.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 70.02 110.828 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -129.46 178.21 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.959 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.4 -43.5 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 74.33 110.892 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.63 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 45.52 111.076 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -122.77 27.26 7.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 51.43 110.88 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.0 t -81.51 124.24 80.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.857 1.313 . . . . 62.24 108.285 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -12.41 32.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.799 2.333 . . . . 72.33 112.329 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -98.81 0.25 43.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 72.32 110.871 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.925 179.882 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 119.291 -0.385 . . . . 64.42 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.9 t -121.0 117.42 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 74.41 108.269 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -94.72 29.98 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.942 -1.027 . . . . 74.42 110.971 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.781 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -127.37 -35.51 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 50.25 110.848 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.3 p -130.9 14.6 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 64.42 108.301 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 59.78 20.19 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.03 -0.986 . . . . 54.51 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.45 161.37 38.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 64.44 112.506 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -128.56 95.32 4.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 71.22 110.97 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.52 -56.76 0.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 73.1 112.447 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -86.84 -173.51 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 74.22 110.872 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -117.88 150.61 38.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 71.25 110.861 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.781 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.24 -37.33 72.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 72.13 111.127 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -62.3 -22.23 65.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 70.34 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.02 16.48 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 65.43 110.916 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 73.52 108.288 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.779 0.323 . . . . 62.01 111.106 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 130.33 42.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.843 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.43 -22.69 39.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 63.21 112.478 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.06 119.8 39.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 119.277 -0.392 . . . . 65.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.16 150.59 48.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 72.11 108.243 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -115.92 -23.79 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.982 -1.008 . . . . 74.53 110.916 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.4 m -65.99 -43.73 86.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 60.54 111.1 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.51 -38.01 5.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 64.22 108.35 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 34.98 3.99 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 114.921 -1.036 . . . . 61.02 112.516 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -99.92 118.32 61.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 63.43 110.875 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 91.3 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.746 2.297 . . . . 70.05 112.303 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.04 -63.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.663 -0.779 . . . . 64.14 112.41 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -96.69 -174.61 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 75.43 110.851 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.42 176.2 8.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.919 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -51.73 -42.68 62.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 62.33 110.902 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.97 -23.53 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -123.37 25.53 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 54.44 110.958 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.5 t -80.61 124.22 82.14 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 122.754 1.264 . . . . 61.33 108.319 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -12.01 32.03 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.675 2.25 . . . . 72.04 112.314 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 0.36 44.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.55 110.949 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.917 179.857 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 119.258 -0.401 . . . . 71.03 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t -123.67 117.18 24.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 73.04 108.3 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.98 29.17 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.98 -1.009 . . . . 64.54 110.925 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.832 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -126.4 -35.66 2.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 63.11 110.966 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.7 p -130.51 14.32 5.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 54.54 108.257 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 m120 59.16 21.12 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.027 -0.988 . . . . 70.41 110.911 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.93 159.14 49.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.761 . . . . 41.42 112.509 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.6 ttt -125.77 100.8 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 65.1 110.907 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.31 -53.59 0.58 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.683 -0.77 . . . . 41.33 112.441 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -91.51 -173.52 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 62.3 110.881 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.45 151.47 37.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 62.11 110.877 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.832 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.27 -37.35 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.061 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -22.47 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.869 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -116.1 15.97 16.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.879 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 64.3 108.29 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.802 0.334 . . . . 73.21 111.106 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.29 126.24 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 65.54 110.846 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.33 -31.99 5.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.658 -0.782 . . . . 60.12 112.47 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.41 123.86 51.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 119.291 -0.385 . . . . 45.35 110.975 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -70.96 150.57 45.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 63.4 108.275 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -116.27 -24.36 7.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.011 -0.995 . . . . 72.21 110.904 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.6 m -64.91 -43.0 94.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 72.1 111.164 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.41 -38.33 4.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 61.33 108.32 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.17 34.43 3.96 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 114.988 -1.006 . . . . 71.43 112.473 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -100.44 119.75 58.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 53.11 110.947 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 96.23 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.272 . . . . 51.34 112.295 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.51 -65.58 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 63.33 112.464 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -94.85 -172.99 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.705 0.288 . . . . 75.02 110.916 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.41 178.07 7.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 64.21 110.91 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -49.88 -43.22 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.915 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.67 64.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 42.23 111.091 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -118.16 28.42 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.934 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 t -84.36 124.23 74.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.801 1.286 . . . . 72.13 108.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -12.54 33.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 73.34 112.309 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -98.24 0.66 46.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.947 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 65.13 110.895 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 119.351 -0.357 . . . . 71.35 110.814 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -118.66 118.36 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 63.33 108.223 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.19 31.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.943 -1.026 . . . . 72.43 110.888 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.763 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -128.99 -35.33 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 74.24 110.915 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.0 p -131.36 14.66 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 64.41 108.295 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.05 21.0 8.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.018 -0.992 . . . . 70.15 110.856 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.19 159.17 41.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.728 . . . . 73.44 112.493 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.9 tpp -124.34 95.86 4.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 73.22 110.96 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.09 -58.42 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 71.23 112.486 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -86.41 -173.0 4.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 54.22 110.848 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -121.09 153.26 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 63.21 110.873 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.763 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -54.6 -44.53 73.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 63.35 111.145 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -23.79 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.88 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.05 19.24 15.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 72.15 110.919 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 71.4 108.297 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.826 0.346 . . . . 63.45 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.82 133.34 37.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.875 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.98 -22.8 37.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 52.21 112.525 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.34 122.73 46.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 119.252 -0.404 . . . . 63.1 110.958 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -72.16 149.73 44.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 72.22 108.277 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -115.11 -23.29 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.999 -1.0 . . . . 71.13 110.935 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -66.54 -43.56 84.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 72.33 111.145 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -111.77 -38.28 4.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 53.12 108.201 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.64 34.89 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.063 -0.972 . . . . 64.41 112.444 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -101.89 115.19 65.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.739 . . . . 65.33 110.868 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 91.3 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 73.11 112.37 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.91 -42.84 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 71.54 112.51 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -120.94 -176.04 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 65.21 110.81 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.91 175.98 8.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 70.52 110.954 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -52.93 -39.17 62.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.951 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.65 -18.72 55.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.095 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -130.1 24.04 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 72.34 110.956 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.9 t -78.07 124.31 86.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 122.786 1.279 . . . . 33.14 108.283 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -11.91 31.73 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.746 2.297 . . . . 73.31 112.317 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.52 0.13 44.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.887 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 70.05 110.872 179.826 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 119.349 -0.358 . . . . 71.32 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.7 t -123.33 117.39 25.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 53.53 108.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 28.87 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.987 -1.006 . . . . 74.05 110.955 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.842 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -126.04 -36.19 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 72.12 110.907 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.82 14.38 5.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 72.33 108.319 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m120 59.44 20.86 9.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.99 -1.005 . . . . 50.14 110.916 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.96 158.18 47.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.732 . . . . 71.01 112.5 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.7 mtm -124.42 98.32 5.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 63.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.22 -57.32 0.51 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 62.21 112.494 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -87.35 -173.42 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 73.23 110.861 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -118.99 151.79 37.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 71.15 110.859 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.842 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.37 -37.63 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 61.24 111.101 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -61.83 -22.49 65.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 72.01 110.91 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -117.28 16.75 14.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 63.44 110.925 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 52.51 108.32 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.715 0.293 . . . . 61.53 111.111 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 131.13 45.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 73.34 110.839 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.55 -22.47 40.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 71.33 112.481 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.01 118.94 37.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 119.326 -0.368 . . . . 61.44 110.896 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.3 t -66.84 150.43 49.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 74.14 108.311 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -115.69 -23.96 8.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.012 -0.995 . . . . 73.13 110.863 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.8 m -65.99 -43.49 87.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 73.23 111.099 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.64 -37.99 5.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 73.14 108.265 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.19 35.16 4.0 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.017 -0.992 . . . . 21.25 112.47 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -100.16 118.36 61.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.585 0.707 . . . . 74.2 110.906 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 91.26 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.676 2.25 . . . . 73.41 112.365 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.24 -63.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 75.24 112.467 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -96.67 -174.32 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 71.14 110.884 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.68 175.34 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 73.34 110.885 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -51.5 -43.94 62.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 73.2 110.847 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.62 50.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 63.02 111.088 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.32 28.87 5.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.947 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.9 t -79.86 120.91 81.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.768 1.271 . . . . 73.22 108.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -13.83 35.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.259 . . . . 71.31 112.349 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.18 0.33 48.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 54.43 110.941 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 52.45 110.877 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 119.276 -0.392 . . . . 60.35 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.2 t -123.96 117.19 24.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 73.32 108.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.06 28.21 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.982 -1.008 . . . . 75.3 110.917 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.838 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.25 -36.4 2.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.933 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.56 14.43 6.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 64.12 108.283 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.46 20.79 9.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.004 -0.998 . . . . 74.21 110.9 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.2 157.86 48.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 71.5 112.449 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mtp -124.33 98.7 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 73.2 110.947 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.17 -56.57 0.52 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 52.4 112.501 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -88.27 -173.51 4.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 71.54 110.805 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -118.43 151.89 36.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 64.32 110.929 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.838 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -58.26 -35.23 71.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 72.52 111.101 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -21.99 65.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 75.22 110.904 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.36 15.72 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.903 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 64.34 108.267 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.491 -0.244 . . . . 45.03 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -76.42 71.74 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.861 0.362 . . . . 74.03 110.878 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.71 11.58 21.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 55.42 111.145 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 129.59 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.843 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.78 -25.45 16.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 75.22 112.563 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -112.85 116.38 29.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 119.341 -0.361 . . . . 75.25 110.902 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 t -68.32 147.02 52.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 73.15 108.317 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.477 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.6 t80 -111.86 -24.15 10.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.01 -0.996 . . . . 74.15 110.903 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -65.89 -41.35 91.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 70.24 111.091 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -113.07 -39.4 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 71.21 108.307 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.07 36.14 3.48 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.055 -0.975 . . . . 72.11 112.451 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.48 129.6 24.37 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.679 0.752 . . . . 63.44 110.858 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.82 167.25 25.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 45.35 112.324 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.73 -27.21 20.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 64.12 112.466 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -145.11 174.81 10.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 74.52 110.871 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.3 178.55 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 62.35 110.917 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -49.53 -43.25 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 72.52 110.9 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.55 -30.57 63.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 45.32 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -120.0 31.02 6.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 73.12 110.922 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 t -78.02 124.91 86.0 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 122.762 1.268 . . . . 71.14 108.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -13.1 34.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 33.42 112.35 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -97.39 0.26 47.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 72.15 110.901 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 106.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 61.41 110.898 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.16 -66.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 73.52 110.867 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.63 -173.78 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 64.44 110.912 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t 61.03 48.12 6.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 60.44 110.866 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.01 -89.91 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 74.43 112.514 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -154.03 -61.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 72.21 110.874 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.5 m 59.28 97.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 50.34 110.856 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -80.77 -68.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 71.53 110.894 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -163.98 29.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 61.14 110.906 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -101.95 173.32 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 71.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -123.85 117.5 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 55.42 108.303 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.0 29.63 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.982 -1.008 . . . . 54.44 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.776 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -126.97 -35.68 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.944 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.1 p -130.74 14.5 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 53.24 108.295 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 59.48 20.6 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.013 -0.994 . . . . 74.33 110.856 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.58 157.79 47.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 60.31 112.479 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 33.8 mtp -124.29 97.37 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 74.14 110.882 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.28 -57.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 75.4 112.521 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -87.27 -173.44 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 75.43 110.833 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -118.46 152.33 36.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 73.4 110.897 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.776 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -56.5 -40.09 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 60.12 111.076 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -22.0 65.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 71.25 110.88 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -117.35 18.85 14.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 54.54 110.964 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.5 t -85.5 125.47 33.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 72.2 108.307 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.39 167.24 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.99 -1.004 . . . . 70.2 110.868 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -118.05 150.28 39.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 70.33 110.884 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.12 -74.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.85 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 72.23 110.839 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.89 8.1 . 0.0 '__' . 73.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.022 8.247 . 0.453 1L . 74.24 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 C1'-O4'-C4' 116.809 8.01 . 0.562 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 116.839 8.043 . 0.634 1a . 73.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 93.334 -8.69 . 0.727 1a . 75.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.003 8.225 . 0.572 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 116.971 8.19 . 0.835 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 3 C1'-O4'-C4' 116.998 8.221 . 0.53 1a . 75.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . 0.436 ' C6 ' HD11 ' A' ' 49' ' ' LEU . . . . . . . . 0 C3'--C2' 1.504 -1.931 1 C1'-O4'-C4' 113.461 4.29 OUTLIER-DELTA 0.0 OUTLIER . 72.32 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 91.819 -9.772 . 0.0 OUTLIER . 70.45 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 91.352 -10.106 . 0.0 OUTLIER gamma 73.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 O4'-C4'-C3' 92.04 -9.614 . 0.0 OUTLIER gamma 74.04 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 C1'-O4'-C4' 116.796 7.996 . 0.081 1L . 74.41 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 117.178 8.42 . 0.6 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 O4'-C4'-C3' 92.397 -9.359 . 0.858 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.356 7.507 . 0.0 OUTLIER gamma 72.41 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 3 C1'-O4'-C4' 116.826 8.029 . 0.0 OUTLIER . 74.51 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 116.829 8.032 . 0.187 1a . 75.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 94.138 -8.115 . 0.803 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 O4'-C4'-C3' 94.119 -8.129 . 0.786 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 3 O4'-C4'-C3' 93.718 -8.415 . 0.577 1a . 75.4 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.241 8.49 . 0.018 1L . 75.11 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 3 O4'-C4'-C3' 93.242 -8.755 . 0.0 OUTLIER . 75.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 1 O4'-C4'-C3' 90.504 -10.712 . 0.0 OUTLIER gamma 45.03 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 93.473 -8.591 . 0.0 OUTLIER . 75.42 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 3 C1'-O4'-C4' 116.851 8.056 . 0.01 1c . 73.14 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.84 8.044 . 0.0 OUTLIER . 72.41 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.782 7.98 . 0.0 OUTLIER '7D dist 5n wannabe' 75.43 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.79 7.989 . 0.489 1a . 61.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 93.964 -8.24 . 0.547 1a . 74.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 116.782 7.98 . 0.842 1a . 73.12 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 117.084 8.315 . 0.338 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 116.792 7.991 . 0.511 1a . 74.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 116.841 8.045 . 0.537 1a . 75.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 117.204 8.448 . 0.542 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 3 O4'-C4'-C3' 92.976 -8.946 . 0.616 1a . 72.22 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 116.824 8.026 . 0.243 1L . 74.55 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 3 O4'-C4'-C3' 91.958 -9.673 . 0.0 OUTLIER . 75.23 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 92.075 -9.59 . 0.0 OUTLIER . 70.44 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 93.615 -8.489 . 0.0 OUTLIER . 75.43 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.855 1 C1'-O4'-C4' 114.941 5.934 . 0.0 OUTLIER gamma 73.2 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 3 O4'-C4'-C3' 91.609 -9.922 . 0.019 1e . 73.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 O4'-C4'-C3' 92.665 -9.168 . 0.342 1a . 72.34 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 92.341 -9.399 . 0.592 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 116.885 8.094 . 0.603 1a . 75.24 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 117.298 8.553 . 0.141 1L . 75.31 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 116.841 8.045 . 0.0 OUTLIER zeta-1 74.15 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 117.301 8.557 . 0.0 OUTLIER . 73.54 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 C1'-O4'-C4' 116.905 8.116 . 0.0 OUTLIER . 74.22 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 116.829 8.033 . 0.454 1L . 74.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.943 8.159 . 0.469 1a . 73.32 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.811 8.012 . 0.659 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.853 8.059 . 0.494 1a . 72.4 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.802 8.002 . 0.1 1L . 74.51 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.883 8.092 . 0.0 OUTLIER zeta-1 75.24 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 116.847 8.052 . 0.01 1m . 70.04 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.007 8.229 . 0.429 1L . 74.1 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 117.124 8.36 . 0.167 1a . 73.4 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.477 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.9 3 O4'-C4'-C3' 93.61 -8.493 . 0.019 1g . 75.13 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.343 -9.168 0 C3'-C2'-O2' 102.688 -3.659 OUTLIER-DELTA 0.0 OUTLIER delta 73.5 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 1 O4'-C4'-C3' 90.144 -10.968 . 0.0 OUTLIER delta-1 71.32 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 94.076 -8.16 . 0.0 OUTLIER gamma 74.53 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 91.752 -9.82 . 0.416 1L . 75.11 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 1 O4'-C4'-C3' 91.526 -9.981 . 0.152 1a . 70.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.488 2 C1'-O4'-C4' 116.556 7.729 . 0.0 OUTLIER '7D dist 5n wannabe' 72.11 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 94.055 -8.175 . 0.0 OUTLIER '7D dist 1a' 74.21 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.829 8.032 . 0.398 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.804 8.004 . 0.0 OUTLIER . 74.22 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 C1'-O4'-C4' 117.18 8.423 . 0.328 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.81 8.011 . 0.418 1a . 65.01 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 116.796 7.995 . 0.32 1a . 75.04 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.778 7.976 . 0.746 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.043 8.27 . 0.715 1a . 72.04 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.039 8.266 . 0.788 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 C1'-O4'-C4' 116.833 8.037 . 0.796 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.45 -0.26 . . . . 51.11 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -116.47 -32.27 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 72.52 110.865 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 16' ' ' ARG . . . 67.31 10.8 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.33 111.101 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.2 128.39 30.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.892 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.05 -28.03 14.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 74.21 112.433 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.67 124.51 46.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 119.359 -0.353 . . . . 61.13 110.884 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.4 t -75.23 150.55 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 42.41 108.284 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.43 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 3.3 t80 -115.5 -24.88 8.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.968 -1.015 . . . . 73.41 110.892 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -64.51 -43.2 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 75.42 111.131 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.94 -38.31 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 55.35 108.333 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 35.37 3.83 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 114.945 -1.025 . . . . 53.43 112.499 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -100.21 118.34 61.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.739 . . . . 60.3 110.899 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 91.16 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.732 2.288 . . . . 71.05 112.344 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.29 -62.2 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.69 -0.767 . . . . 65.3 112.464 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -98.42 -172.07 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.333 . . . . 73.23 110.896 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.39 177.98 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 63.31 110.889 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -51.21 -42.68 61.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 75.03 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.93 -25.77 61.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 64.13 111.031 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -123.22 27.95 7.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 63.01 110.993 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 t -83.94 124.05 75.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.726 1.25 . . . . 44.21 108.272 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -12.39 32.65 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.598 2.199 . . . . 55.01 112.353 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -98.17 0.19 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.916 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -68.41 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.01 110.873 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.37 -173.29 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.3 110.88 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm -140.49 -74.41 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.929 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.03 165.66 33.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.994 0.426 . . . . 64.23 110.849 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.09 154.28 6.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.818 -0.706 . . . . 73.13 112.544 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -157.21 -74.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 70.54 110.828 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m 63.2 104.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.894 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -113.01 101.45 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 72.04 110.856 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.28 -169.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 73.24 110.896 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -93.7 167.97 11.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.813 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.5 t -119.38 117.57 28.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 64.32 108.313 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.67 31.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.039 -0.982 . . . . 73.43 110.906 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.68 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -128.71 -35.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.903 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.9 p -131.95 15.0 4.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 70.44 108.282 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.11 19.52 8.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.006 -0.997 . . . . 73.42 110.932 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.54 162.21 29.81 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.67 -0.776 . . . . 64.22 112.497 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.5 ttp -129.71 91.74 3.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 72.23 110.889 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.45 -55.4 0.46 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 53.41 112.461 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -88.4 -173.78 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 72.12 110.858 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.56 151.71 36.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 65.24 110.858 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.68 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -54.86 -43.08 72.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 65.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.76 -23.68 63.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.87 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.48 18.57 16.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 63.13 110.984 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.4 t -85.31 139.56 31.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 75.03 108.32 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -72.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.0 -1.0 . . . . 70.1 110.858 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -177.77 141.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 64.41 110.868 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.21 157.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.13 110.87 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.888 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 117.052 8.28 . 0.0 '__' . 74.53 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.984 8.205 . 0.43 1a . 74.51 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.046 2 C1'-O4'-C4' 116.773 7.97 . 0.768 1a . 72.02 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 94.106 -8.139 . 0.752 1a . 73.21 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.13 8.367 . 0.192 1a . 73.3 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.833 2 C1'-O4'-C4' 116.958 8.176 . 0.618 1a . 75.35 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.833 2 C1'-O4'-C4' 117.078 8.309 . 0.343 1a . 72.21 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.178 8.42 . 0.02 1a . 75.22 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 O4'-C4'-C3' 92.422 -9.341 . 0.0 OUTLIER gamma 74.45 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 116.868 8.076 . 0.01 1c . 74.21 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 93.297 -8.717 . 0.0 OUTLIER gamma 73.33 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 O4'-C4'-C3' 92.791 -9.078 . 0.124 7a . 74.2 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.813 8.014 . 0.415 1a . 72.41 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 117.116 8.351 . 0.762 1a . 75.21 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 3 O4'-C4'-C3' 92.582 -9.227 . 0.659 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 3 C1'-O4'-C4' 117.151 8.389 . 0.0 OUTLIER . 72.14 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.963 8.181 . 0.0 OUTLIER . 72.35 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.864 8.071 . 0.56 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 C1'-O4'-C4' 116.961 8.179 . 0.835 1a . 73.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.18 8.423 . 0.807 1a . 75.22 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 93.475 -8.589 . 0.657 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.244 8.494 . 0.058 1L . 75.44 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 1 O4'-C4'-C3' 90.367 -10.809 . 0.0 OUTLIER . 74.5 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 1 O4'-C4'-C3' 90.58 -10.657 . 0.0 OUTLIER . 73.13 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 1 C1'-O4'-C4' 104.424 -5.751 OUTLIER-DELTA 0.0 OUTLIER . 72.01 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 116.798 7.998 . 0.0 OUTLIER gamma 75.25 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 116.83 8.033 . 0.0 OUTLIER . 73.22 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.768 7.964 . 0.0 OUTLIER gamma 75.12 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.777 7.974 . 0.524 1a . 70.52 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.952 8.169 . 0.23 1a . 75.3 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 116.807 8.008 . 0.694 1a . 74.51 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.09 2 C1'-O4'-C4' 117.08 8.311 . 0.726 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 116.816 8.018 . 0.7 1a . 72.25 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 116.758 7.954 . 0.793 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 C1'-O4'-C4' 117.179 8.421 . 0.639 1a . 72.24 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 117.275 8.528 . 0.673 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 116.839 8.043 . 0.01 1m . 73.14 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 92.121 -9.556 . 0.0 OUTLIER . 73.24 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 1 O4'-C4'-C3' 90.19 -10.936 . 0.0 OUTLIER gamma 73.22 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.863 8.07 . 0.0 OUTLIER . 73.31 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . 0.439 " O3'" " H4'" ' B' ' 201' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 117.011 8.234 . 0.0 OUTLIER gamma 72.34 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . 0.439 " H4'" " O3'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 91.269 -10.165 . 0.029 1e . 64.14 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 O4'-C4'-C3' 92.264 -9.454 . 0.204 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 91.95 -9.679 . 0.404 1a . 75.5 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.928 8.143 . 0.384 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 117.275 8.528 . 0.178 1L . 70.41 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 3 C1'-O4'-C4' 116.806 8.007 . 0.0 OUTLIER zeta-1 74.35 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 117.266 8.518 . 0.0 OUTLIER . 73.21 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.843 3 C1'-O4'-C4' 117.008 8.231 . 0.0 OUTLIER . 75.14 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 C1'-O4'-C4' 116.767 7.963 . 0.458 1L . 72.22 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 116.949 8.165 . 0.036 1a . 73.35 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 116.819 8.021 . 0.624 1a . 73.5 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.08 3 O4'-C4'-C3' 93.652 -8.463 . 0.546 1a . 74.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.886 8.095 . 0.064 1L . 75.22 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.072 2 C1'-O4'-C4' 117.052 8.28 . 0.0 OUTLIER zeta-1 74.33 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.803 8.003 . 0.425 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 117.172 8.413 . 0.378 1L . 72.22 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.485 2.68 2 C1'-O4'-C4' 116.525 7.695 . 0.179 1a . 71.43 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.43 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 O4'-C4'-C3' 91.7 -9.857 . 0.0 OUTLIER gamma 74.2 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.363 -7.527 2 O4'-C4'-C3' 93.932 -8.263 . 0.0 OUTLIER . 73.42 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 1 O4'-C4'-C3' 90.451 -10.749 . 0.0 OUTLIER '7D dist 5n wannabe' 71.15 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.1 2 C1'-O4'-C4' 116.663 7.847 . 0.014 1a . 75.2 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 2 C1'-O4'-C4' 117.436 8.707 . 0.0 OUTLIER gamma 71.34 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 2 C1'-O4'-C4' 117.61 8.9 . 0.103 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 2 C1'-O4'-C4' 117.048 8.276 . 0.0 OUTLIER gamma 73.23 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 O4'-C4'-C3' 93.447 -8.609 . 0.346 7a . 72.12 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 3 O4'-C4'-C3' 94.263 -8.027 . 0.288 1a . 73.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 116.771 7.967 . 0.0 OUTLIER '7D dist 1L' 75.54 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 C1'-O4'-C4' 117.063 8.292 . 0.637 1a . 73.52 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.861 8.068 . 0.431 1a . 75.22 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.817 8.019 . 0.585 1a . 73.12 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 116.808 8.009 . 0.716 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 O4'-C4'-C3' 93.3 -8.714 . 0.675 1a . 71.22 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.989 8.21 . 0.425 1a . 73.02 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.812 2 C1'-O4'-C4' 116.808 8.009 . 0.677 1a . 72.14 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 112.543 -0.223 . . . . 53.41 112.543 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -138.66 145.88 40.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 55.21 110.914 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.52 17.6 1.03 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 73.13 111.146 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 135.36 28.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 43.04 110.868 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.52 -22.24 41.24 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.742 -0.742 . . . . 41.42 112.446 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.38 122.01 46.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 119.339 -0.363 . . . . 61.44 110.934 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.0 t -68.84 150.66 47.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 72.14 108.336 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.1 t80 -116.11 -23.94 8.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.015 -0.993 . . . . 71.12 110.88 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.3 m -65.87 -43.74 87.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 63.24 111.143 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 p -111.47 -38.08 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 74.43 108.276 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.11 35.35 3.97 Favored Glycine 0 N--CA 1.452 -0.243 0 CA-C-N 114.992 -1.004 . . . . 74.02 112.489 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -100.68 118.91 59.92 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.747 . . . . 63.43 110.912 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 93.98 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.743 2.296 . . . . 63.44 112.307 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.23 -64.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 63.32 112.507 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -96.0 -173.85 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 75.04 110.848 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.62 176.32 8.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.439 . . . . 62.44 110.995 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -51.45 -42.95 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 75.43 110.982 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.43 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 73.24 111.093 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -122.73 26.26 8.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 72.53 110.898 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -81.05 124.17 81.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 122.842 1.306 . . . . 74.4 108.283 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -12.05 32.17 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.625 2.216 . . . . 63.44 112.396 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.53 0.35 44.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 72.43 110.856 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -45.21 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.41 110.88 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -98.32 127.84 44.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.918 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.49 102.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 75.3 110.882 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 p -142.95 135.29 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.45 110.851 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.28 -69.04 1.0 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.638 -0.791 . . . . 50.13 112.451 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -131.08 134.82 46.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 71.04 110.887 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.07 176.7 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 64.33 110.93 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -113.21 161.67 16.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 55.34 26.7 8.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 64.21 110.86 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 -102.81 173.32 6.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 71.44 110.864 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.6 t -124.3 117.19 23.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 74.14 108.349 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.0 27.88 2.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.99 -1.005 . . . . 73.35 110.955 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.839 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -124.96 -36.19 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 74.12 110.959 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.8 14.48 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 41.13 108.285 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.43 20.71 9.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.035 -0.984 . . . . 71.14 110.892 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.19 157.59 49.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 65.13 112.447 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.2 mtp -124.09 98.5 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 74.41 110.889 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.4 -56.98 0.51 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.758 -0.734 . . . . 65.15 112.479 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -87.7 -173.65 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 71.03 110.873 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -118.34 151.46 37.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.31 110.907 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.839 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -58.13 -34.88 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 42.41 111.086 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -22.55 66.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 60.23 110.867 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -115.41 14.76 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 52.33 110.938 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.5 t -92.41 137.76 32.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 64.42 108.276 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 55.67 75.42 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.961 -1.018 . . . . 73.25 110.918 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -172.61 129.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.881 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 59.32 91.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 54.44 110.854 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 55.11 110.858 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 117.139 8.377 . 0.0 '__' . 72.43 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.874 8.082 . 0.711 1a . 71.12 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.78 7.978 . 0.534 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 117.029 8.254 . 0.572 1a . 73.23 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 O4'-C4'-C3' 93.57 -8.521 . 0.75 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 116.849 8.055 . 0.74 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 94.251 -8.035 . 0.841 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 94.071 -8.164 . 0.794 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 91.057 -10.317 . 0.0 OUTLIER gamma 74.41 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.032 1 O4'-C4'-C3' 90.189 -10.937 . 0.0 OUTLIER . 74.52 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . 0.519 ' O2 ' HD21 ' A' ' 49' ' ' LEU . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 116.928 8.142 . 0.662 9a . 74.43 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 92.793 -9.076 . 0.027 7a . 72.43 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 116.802 8.002 . 0.654 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 117.018 8.242 . 0.572 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 O4'-C4'-C3' 93.399 -8.643 . 0.763 1a . 70.32 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 1 O4'-C4'-C3' 90.82 -10.486 . 0.0 OUTLIER . 73.31 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 117.205 8.45 . 0.0 OUTLIER . 72.55 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.02 2 C1'-O4'-C4' 116.842 8.046 . 0.511 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.042 2 O4'-C4'-C3' 93.473 -8.591 . 0.709 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.043 8.27 . 0.517 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 93.385 -8.654 . 0.655 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 C1'-O4'-C4' 117.242 8.491 . 0.051 1L . 64.03 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 1 O4'-C4'-C3' 91.166 -10.239 . 0.095 1f . 74.43 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 1 O4'-C4'-C3' 90.527 -10.695 . 0.0 OUTLIER . 73.35 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 91.16 -10.243 . 0.0 OUTLIER . 73.34 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.797 7.997 . 0.0 OUTLIER . 75.11 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.805 8.006 . 0.0 OUTLIER . 74.21 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 3 C1'-O4'-C4' 116.812 8.014 . 0.0 OUTLIER . 72.33 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.755 7.951 . 0.413 1a . 73.24 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.129 8.365 . 0.094 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.87 2 C1'-O4'-C4' 116.793 7.992 . 0.733 1a . 72.53 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 116.866 8.074 . 0.603 1a . 73.42 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.844 2 C1'-O4'-C4' 116.794 7.993 . 0.704 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 116.831 8.034 . 0.795 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.015 8.239 . 0.734 1a . 74.54 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 O4'-C4'-C3' 93.765 -8.382 . 0.683 1a . 72.11 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.854 8.061 . 0.082 1a . 75.31 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 91.31 -10.135 . 0.0 OUTLIER . 74.13 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 1 C1'-O4'-C4' 103.98 -6.245 OUTLIER-DELTA 0.0 OUTLIER gamma 75.13 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.953 8.17 . 0.0 OUTLIER '7D dist 5d' 65.34 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 117.231 8.479 . 0.0 OUTLIER '7D dist 3g wannabe' 73.55 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 O4'-C4'-C3' 91.751 -9.821 . 0.0 OUTLIER . 71.23 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 92.933 -8.977 . 0.794 1a . 73.34 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 94.088 -8.152 . 0.478 1a . 72.12 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.924 8.137 . 0.463 1a . 71.35 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.297 8.552 . 0.14 1L . 74.02 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 116.764 7.959 . 0.0 OUTLIER zeta-1 75.34 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.316 8.574 . 0.0 OUTLIER . 75.4 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.888 3 C1'-O4'-C4' 116.87 8.078 . 0.0 OUTLIER . 75.55 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.727 7.918 . 0.456 1L . 75.53 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.939 8.155 . 0.474 1a . 75.12 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.738 7.931 . 0.815 1a . 73.24 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.86 8.067 . 0.339 1a . 73.1 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.86 8.066 . 0.76 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.857 8.063 . 0.0 OUTLIER zeta-1 75.43 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.851 8.057 . 0.0 OUTLIER . 73.2 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 92.744 -9.111 . 0.605 1L . 72.5 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 94.191 -8.078 . 0.389 1a . 73.32 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.407 " O2'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.212 2 O4'-C4'-C3' 91.967 -9.666 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.22 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.407 ' OP1' " O2'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.388 -5.454 2 C1'-O4'-C4' 118.082 9.424 . 0.0 OUTLIER epsilon-1 75.34 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 1 O4'-C4'-C3' 91.189 -10.222 . 0.0 OUTLIER gamma 74.24 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.991 8.212 . 0.0 OUTLIER gamma 74.32 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.974 2 O4'-C4'-C3' 93.111 -8.849 . 0.01 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.041 1 O4'-C4'-C3' 92.373 -9.377 . 0.251 1a . 74.32 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 1 C1'-O4'-C4' 115.921 7.024 . 0.0 OUTLIER . 74.43 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 117.23 8.478 . 0.089 1a . 70.54 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 O4'-C4'-C3' 94.287 -8.009 . 0.291 1a . 73.43 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.726 7.918 . 0.0 OUTLIER . 75.55 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.14 8.378 . 0.755 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.829 8.032 . 0.72 1a . 72.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.843 8.048 . 0.741 1a . 54.4 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 116.855 8.061 . 0.749 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 93.921 -8.27 . 0.848 1a . 71.42 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.133 8.37 . 0.722 1a . 74.54 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 116.782 7.98 . 0.528 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.513 -0.235 . . . . 54.25 112.513 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 62.71 102.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 65.23 110.839 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' HB3' ' H21' ' B' ' 218' ' ' ' G' . . . -94.44 21.11 7.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 74.34 111.154 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -51.12 134.88 26.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 73.33 110.839 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.0 -22.59 40.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.69 -0.767 . . . . 74.51 112.443 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.8 124.76 50.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 119.301 -0.381 . . . . 72.35 110.92 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.65 147.99 43.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 60.31 108.288 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.409 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 7.1 t80 -115.15 -22.56 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.003 -0.999 . . . . 54.22 110.916 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.2 m -67.52 -42.66 82.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.146 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.3 p -111.92 -36.72 5.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 64.41 108.325 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.99 34.69 4.5 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 114.992 -1.004 . . . . 43.22 112.49 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -105.12 115.32 62.47 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.661 0.743 . . . . 75.32 110.9 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 97.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.711 2.274 . . . . 71.41 112.328 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.13 -34.7 0.26 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 74.13 112.516 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -130.81 -173.72 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 72.35 110.894 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 177.77 7.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.881 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -51.29 -43.3 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 72.41 110.885 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.96 -25.54 63.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 74.01 111.061 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -121.15 26.59 8.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 74.34 110.891 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -80.96 124.25 81.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.786 1.279 . . . . 65.34 108.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -12.33 32.61 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.664 2.243 . . . . 53.11 112.29 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 0.51 44.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 74.41 110.895 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -78.6 98.33 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.934 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.04 157.98 8.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 72.33 110.852 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -169.43 -58.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.942 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.79 42.81 7.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 61.11 110.833 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.03 -113.5 0.95 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.739 -0.743 . . . . 71.33 112.533 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -134.23 156.52 48.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.871 0.367 . . . . 73.02 110.876 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.5 m 62.69 69.91 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 62.35 110.87 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.32 174.15 6.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 73.11 110.93 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -106.65 -34.72 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 73.44 110.892 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.1 ttt-85 -98.33 172.77 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 72.02 110.834 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.7 t -124.61 116.8 23.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 71.25 108.247 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -94.08 30.44 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.003 -0.999 . . . . 71.14 110.917 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.733 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -127.62 -35.35 2.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 61.24 110.906 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.0 p -131.97 15.25 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.384 1.053 . . . . 71.45 108.336 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m120 59.28 20.38 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.994 -1.003 . . . . 71.54 110.912 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.94 156.48 47.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 50.13 112.505 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.6 tpt -123.79 93.38 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 65.32 110.875 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.42 -57.39 0.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.822 -0.704 . . . . 42.23 112.5 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -86.89 -173.37 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 73.22 110.88 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -118.28 151.03 38.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 71.42 110.904 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.733 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.22 -44.37 75.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.098 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -58.55 -22.22 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 72.43 110.907 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -116.63 17.38 15.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.02 110.886 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.7 t -84.69 130.74 34.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 73.24 108.25 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 60.03 174.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.975 -1.011 . . . . 74.51 110.915 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.32 -176.52 5.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 70.21 110.848 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -65.29 -32.63 74.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 75.44 110.853 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 71.41 110.856 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 117.056 8.284 . 0.0 '__' . 72.21 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.841 8.046 . 0.879 1a . 73.03 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 C1'-O4'-C4' 116.747 7.941 . 0.734 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 117.24 8.489 . 0.637 1a . 73.5 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.881 8.09 . 0.681 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 93.976 -8.231 . 0.824 1a . 74.15 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 117.283 8.537 . 0.647 1a . 73.35 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.898 8.109 . 0.607 1a . 72.04 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 1 C1'-O4'-C4' 103.881 -6.354 OUTLIER-DELTA 0.0 OUTLIER . 75.42 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.828 8.031 . 0.0 OUTLIER . 75.03 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 93.691 -8.435 . 0.307 3a . 75.51 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 94.229 -8.051 . 0.0 OUTLIER gamma 63.14 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.785 7.983 . 0.041 1a . 72.15 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 O4'-C4'-C3' 92.766 -9.096 . 0.826 1a . 73.35 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 O4'-C4'-C3' 92.081 -9.585 . 0.834 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 91.257 -10.174 . 0.0 OUTLIER . 65.34 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.082 8.314 . 0.0 OUTLIER . 73.41 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.76 7.956 . 0.548 1a . 74.35 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.944 8.16 . 0.792 1a . 73.43 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.125 8.361 . 0.786 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.78 -8.372 . 0.664 1a . 74.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 C1'-O4'-C4' 117.164 8.405 . 0.046 1L . 63.44 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 1 O4'-C4'-C3' 90.529 -10.693 . 0.0 OUTLIER alpha 73.3 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 116.549 7.721 . 0.0 OUTLIER . 72.14 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 1 O4'-C4'-C3' 91.376 -10.089 . 0.0 OUTLIER . 65.22 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 3 C1'-O4'-C4' 116.726 7.918 . 0.0 OUTLIER . 74.11 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.062 2 C1'-O4'-C4' 116.811 8.013 . 0.0 OUTLIER . 74.34 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 C1'-O4'-C4' 116.805 8.006 . 0.0 OUTLIER gamma 75.13 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.061 2 C1'-O4'-C4' 116.798 7.998 . 0.515 1a . 73.04 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.859 8.065 . 0.217 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.86 2 C1'-O4'-C4' 116.738 7.931 . 0.637 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 117.113 8.348 . 0.624 1a . 70.34 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 116.824 8.027 . 0.812 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 116.826 8.028 . 0.801 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 117.225 8.472 . 0.628 1a . 75.35 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 O4'-C4'-C3' 92.806 -9.067 . 0.792 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.787 7.986 . 0.05 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 91.97 -9.664 . 0.0 OUTLIER . 73.5 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 91.826 -9.767 . 0.0 OUTLIER . 74.33 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.826 8.029 . 0.0 OUTLIER . 74.02 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 C1'-O4'-C4' 117.223 8.47 . 0.0 OUTLIER . 73.24 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 91.143 -10.255 . 0.0 OUTLIER . 74.15 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 91.859 -9.744 . 0.363 1a . 73.34 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 93.132 -8.834 . 0.377 1a . 75.01 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.876 8.085 . 0.605 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.425 " H2'" ' C8 ' ' B' ' 206' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.297 8.552 . 0.096 1L . 73.3 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . 0.425 ' C8 ' " H2'" ' B' ' 205' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.854 8.06 . 0.0 OUTLIER zeta-1 74.52 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 117.301 8.557 . 0.0 OUTLIER . 75.33 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.842 3 C1'-O4'-C4' 116.845 8.05 . 0.0 OUTLIER . 74.44 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 116.785 7.984 . 0.454 1L . 75.55 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.943 8.159 . 0.454 1a . 75.23 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.051 2 C1'-O4'-C4' 116.767 7.963 . 0.609 1a . 75.21 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.811 8.013 . 0.136 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.939 -8.258 . 0.231 1L . 74.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.883 8.092 . 0.0 OUTLIER zeta-1 64.34 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 C1'-O4'-C4' 116.807 8.008 . 0.0 OUTLIER '7D dist 1m' 73.34 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 117.146 8.385 . 0.342 1L . 63.41 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 94.084 -8.154 . 0.189 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.429 ' H21' ' HB3' ' A' ' 17' ' ' ALA . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 O4'-C4'-C3' 91.64 -9.9 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.14 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.409 ' OP1' " O2'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.362 -7.591 2 C1'-O4'-C4' 118.571 9.968 . 0.0 OUTLIER epsilon-1 75.41 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.043 1 O4'-C4'-C3' 89.8 -11.215 . 0.0 OUTLIER gamma 74.42 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.95 8.167 . 0.0 OUTLIER gamma 73.02 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.902 2 O4'-C4'-C3' 92.079 -9.586 . 0.386 1L . 72.12 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 1 O4'-C4'-C3' 91.38 -10.086 . 0.163 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.918 2 C1'-O4'-C4' 116.591 7.767 . 0.0 OUTLIER '7D dist 5n wannabe' 74.41 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 92.878 -9.015 . 0.127 1a . 65.12 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 94.32 -7.986 . 0.301 1a . 73.05 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 116.786 7.985 . 0.0 OUTLIER . 74.35 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.218 8.464 . 0.229 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 116.839 8.043 . 0.552 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.113 2 C1'-O4'-C4' 116.773 7.97 . 0.272 1a . 72.51 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.846 2 C1'-O4'-C4' 116.817 8.019 . 0.7 1a . 73.33 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 117.197 8.441 . 0.82 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 117.094 8.326 . 0.845 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.831 8.034 . 0.672 1a . 73.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 112.559 -0.216 . . . . 45.03 112.559 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -68.98 -71.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 72.43 110.855 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.51 15.96 9.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 35.1 111.101 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -56.41 128.4 35.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 71.44 110.864 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.4 -22.98 37.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.672 -0.775 . . . . 74.52 112.506 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.05 117.56 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 119.303 -0.379 . . . . 75.41 110.923 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 t -66.36 150.35 49.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 63.14 108.367 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.415 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.6 t80 -115.35 -23.92 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.083 -0.962 . . . . 75.04 110.962 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.4 ' HG1' ' CD ' ' A' ' 31' ' ' GLN . 17.0 m -65.86 -44.03 86.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 73.33 111.086 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 p -111.46 -37.98 5.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 73.4 108.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 34.87 4.02 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 114.976 -1.011 . . . . 73.44 112.504 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.43 118.1 62.81 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.644 0.735 . . . . 75.54 110.889 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 89.61 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.716 2.277 . . . . 72.33 112.302 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.96 -62.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 52.42 112.491 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -98.05 -174.25 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 75.21 110.819 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.37 175.82 8.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 74.11 110.913 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.4 ' CD ' ' HG1' ' A' ' 23' ' ' THR . 0.4 OUTLIER -51.27 -42.84 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.886 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.93 -24.68 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.055 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -122.01 25.88 8.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 74.42 110.858 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 t -81.23 124.14 81.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 122.798 1.285 . . . . 55.41 108.339 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -11.88 31.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 71.25 112.311 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.2 -0.03 44.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.04 110.872 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 120.0 6.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.26 -0.427 . . . . 73.3 110.876 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -113.24 158.4 20.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.881 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -129.9 165.87 21.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 71.24 110.907 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.91 165.31 7.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 71.23 110.859 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.2 172.75 46.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 62.15 112.455 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -152.69 -51.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.367 . . . . 64.2 110.901 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.7 m -156.24 170.42 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.882 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 71.24 6.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 72.05 110.883 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -148.53 -43.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 62.1 110.862 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -101.34 173.63 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 72.22 110.83 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.6 t -124.76 117.06 23.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 60.14 108.281 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -94.93 28.54 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.982 -1.008 . . . . 61.44 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.822 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.5 -36.11 2.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 71.44 110.911 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.0 p -130.05 14.55 5.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 72.41 108.315 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.44 20.76 9.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.941 -1.027 . . . . 52.13 110.845 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.98 157.65 48.55 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 61.23 112.535 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.424 ' HB3' " H1'" ' B' ' 199' ' ' ' G' . 1.3 tmt? -124.57 97.52 5.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.348 . . . . 62.43 110.872 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.53 -56.8 0.5 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 53.35 112.442 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -87.81 -173.62 4.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 74.35 110.851 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -117.79 151.49 37.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.916 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.822 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.72 -36.99 72.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 62.02 111.186 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -21.5 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 72.32 110.901 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.22 15.42 15.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 72.02 110.912 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.2 t -90.2 140.8 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 73.42 108.322 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 60.14 178.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.052 -0.976 . . . . 72.32 110.861 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.13 69.42 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 63.25 110.913 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -137.29 132.8 34.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 65.4 110.868 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 75.52 110.793 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 117.252 8.502 . 0.0 '__' . 73.43 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.954 8.171 . 0.679 1a . 72.52 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 116.839 8.043 . 0.82 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.848 2 C1'-O4'-C4' 117.193 8.437 . 0.579 1a . 75.23 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.902 8.114 . 0.82 1a . 73.32 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.917 8.13 . 0.404 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.094 8.327 . 0.704 1a . 70.23 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 C1'-O4'-C4' 116.953 8.17 . 0.726 1a . 74.01 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 O4'-C4'-C3' 90.952 -10.391 . 0.0 OUTLIER . 73.22 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.882 1 O4'-C4'-C3' 90.97 -10.379 . 0.0 OUTLIER . 75.45 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 115.902 7.002 . 0.0 OUTLIER gamma 74.54 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.114 -9.561 . 0.0 OUTLIER gamma 71.14 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.066 2 C1'-O4'-C4' 116.774 7.971 . 0.02 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 O4'-C4'-C3' 94.175 -8.089 . 0.708 1a . 64.03 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 93.896 -8.289 . 0.807 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 116.876 8.084 . 0.0 OUTLIER gamma 74.44 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 3 C1'-O4'-C4' 116.968 8.187 . 0.0 OUTLIER zeta-1 74.22 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.833 8.036 . 0.536 1a . 73.01 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 93.474 -8.59 . 0.743 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.169 8.41 . 0.621 1a . 73.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 93.621 -8.485 . 0.654 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.256 8.507 . 0.032 1L . 74.45 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 1 O4'-C4'-C3' 90.892 -10.434 . 0.0 OUTLIER alpha 74.22 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 92.358 -9.387 . 0.0 OUTLIER gamma 72.52 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.187 8.43 . 0.308 1f . 73.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.768 7.964 . 0.0 OUTLIER . 74.11 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 116.885 8.095 . 0.0 OUTLIER . 70.5 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.823 8.026 . 0.064 3g . 74.41 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.803 8.004 . 0.523 1a . 74.35 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 116.959 8.177 . 0.365 1a . 73.34 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.781 7.979 . 0.76 1a . 75.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 94.203 -8.07 . 0.754 1a . 74.1 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.038 2 C1'-O4'-C4' 116.765 7.962 . 0.5 1a . 75.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 116.865 8.072 . 0.671 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.137 8.375 . 0.319 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 3 O4'-C4'-C3' 91.706 -9.853 . 0.642 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.77 7.966 . 0.299 1a . 73.42 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 91.502 -9.998 . 0.0 OUTLIER . 73.25 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 3 O4'-C4'-C3' 91.301 -10.142 . 0.0 OUTLIER gamma 74.21 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . 0.424 " H1'" ' HB3' ' A' ' 53' ' ' MET . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.859 8.065 . 0.0 OUTLIER . 74.35 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 117.211 8.456 . 0.0 OUTLIER . 74.35 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.07 2 O4'-C4'-C3' 90.867 -10.452 . 0.0 OUTLIER . 75.22 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 O4'-C4'-C3' 91.716 -9.846 . 0.367 1a . 70.25 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 92.491 -9.292 . 0.428 1a . 70.44 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.991 8.213 . 0.423 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 117.186 8.429 . 0.219 1L . 74.02 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 3 C1'-O4'-C4' 116.829 8.032 . 0.0 OUTLIER zeta-1 73.43 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.06 2 C1'-O4'-C4' 117.245 8.494 . 0.0 OUTLIER '7D dist &a' 75.04 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 3 C1'-O4'-C4' 117.146 8.385 . 0.0 OUTLIER . 72.34 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.735 7.928 . 0.45 1L . 72.51 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 117.095 8.327 . 0.494 1a . 74.55 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.814 8.016 . 0.585 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 C1'-O4'-C4' 116.741 7.935 . 0.17 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 94.131 -8.121 . 0.192 1L . 71.31 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.924 8.137 . 0.0 OUTLIER zeta-1 73.41 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.807 8.008 . 0.0 OUTLIER . 74.33 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 117.065 8.294 . 0.269 1L . 75.21 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.857 8.063 . 0.63 1a . 74.15 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.415 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 91.467 -10.024 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.14 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.404 ' O2 ' " H2'" ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.36 -7.723 2 C1'-O4'-C4' 118.488 9.875 . 0.0 OUTLIER epsilon-1 73.31 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 1 O4'-C4'-C3' 89.841 -11.185 . 0.0 OUTLIER gamma 74.43 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.245 8.495 . 0.0 OUTLIER gamma 71.12 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 2 O4'-C4'-C3' 92.704 -9.14 . 0.0 OUTLIER '7D dist 1a' 72.44 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 1 O4'-C4'-C3' 91.531 -9.978 . 0.172 1a . 74.04 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 2 C1'-O4'-C4' 116.629 7.81 . 0.01 5n . 75.12 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.028 2 C1'-O4'-C4' 116.913 8.126 . 0.078 1a . 75.1 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 3 C1'-O4'-C4' 116.824 8.027 . 0.142 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.877 8.086 . 0.0 OUTLIER . 64.32 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.032 2 C1'-O4'-C4' 117.251 8.501 . 0.537 1a . 71.24 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 C1'-O4'-C4' 116.772 7.969 . 0.06 1a . 74.3 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 116.886 8.096 . 0.748 1a . 73.23 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.818 8.02 . 0.182 1a . 74.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.055 8.283 . 0.602 1a . 75.23 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 117.077 8.308 . 0.791 1a . 74.35 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.872 8.08 . 0.723 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 N-CA-C 112.586 -0.206 . . . . 74.23 112.586 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -55.56 -66.43 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 61.31 110.822 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.13 13.95 8.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 41.42 111.133 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.54 88.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 62.21 110.891 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.72 -8.68 1.8 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.664 -0.779 . . . . 64.32 112.42 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.13 119.9 36.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 119.299 -0.381 . . . . 74.2 110.978 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.4 t -61.89 141.71 57.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 65.31 108.29 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -109.49 39.31 2.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.042 -0.981 . . . . 74.21 110.914 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 m -140.27 -48.11 0.44 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 64.1 111.118 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -110.38 -37.52 5.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 35.43 108.231 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 30.16 4.27 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.003 -0.999 . . . . 70.03 112.491 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -100.23 118.53 61.16 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.639 0.733 . . . . 73.34 110.887 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 98.41 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.711 2.274 . . . . 61.41 112.335 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.88 -67.61 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 63.13 112.47 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -92.15 171.45 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 71.14 110.874 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -114.01 174.01 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 71.54 110.907 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -51.93 -40.98 61.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 60.03 110.903 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.92 -23.41 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 51.43 111.094 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.97 18.48 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 63.34 110.921 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.35 124.13 90.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.808 1.29 . . . . 75.3 108.263 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -13.32 34.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.637 2.224 . . . . 73.33 112.336 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.47 0.14 47.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 53.01 110.894 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -87.25 98.77 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 75.15 110.907 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.52 151.05 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 64.04 110.856 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -155.1 84.52 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.979 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.0 t -166.44 126.77 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.42 110.883 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -143.97 50.02 0.68 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.66 -0.781 . . . . 62.45 112.476 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -163.67 124.7 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.345 . . . . 53.43 110.894 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 m -145.89 134.53 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 51.12 110.9 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.13 -54.75 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 52.22 110.818 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -129.8 27.87 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 72.25 110.879 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.94 173.49 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 65.13 110.87 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.9 t -124.66 117.14 23.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 74.51 108.343 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.79 28.61 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.039 -0.982 . . . . 44.12 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.804 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.78 -35.99 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 62.14 110.936 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.1 p -130.1 14.42 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 72.43 108.286 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.35 20.82 9.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.01 -0.996 . . . . 73.34 110.9 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.03 156.97 49.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 70.21 112.498 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.64 97.38 5.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 53.13 110.818 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.64 -57.92 0.48 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 75.43 112.511 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -86.6 -173.53 4.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.766 0.317 . . . . 75.41 110.834 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -118.29 151.46 37.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 73.51 110.894 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.804 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.9 -36.01 71.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 75.3 111.056 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -62.37 -22.17 65.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.89 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -115.86 15.37 16.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 63.23 110.863 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t -91.12 136.41 33.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 72.05 108.315 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 53.67 28.73 8.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.978 -1.01 . . . . 70.32 110.849 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -126.29 90.3 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 75.53 110.893 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -144.06 159.11 43.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 73.25 110.819 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 72.53 110.874 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 O4'-C4'-C3' 93.076 -8.875 . 0.0 '__' . 74.51 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.922 8.136 . 0.599 1a . 73.22 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 C1'-O4'-C4' 116.81 8.011 . 0.784 1a . 75.51 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.013 8.237 . 0.858 1a . 75.03 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 116.89 8.1 . 0.876 1a . 73.44 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.887 8.097 . 0.823 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 93.425 -8.625 . 0.899 1a . 73.3 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 92.692 -9.149 . 0.785 1a . 72.51 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 O4'-C4'-C3' 91.571 -9.949 . 0.0 OUTLIER . 71.41 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 1 O4'-C4'-C3' 90.435 -10.761 . 0.0 OUTLIER . 73.23 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.526 7.695 . 0.0 OUTLIER gamma 75.42 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.009 8.232 . 0.293 1L . 73.53 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.847 8.052 . 0.696 1a . 71.12 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 93.231 -8.763 . 0.846 1a . 71.24 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 92.968 -8.951 . 0.695 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.779 1 O4'-C4'-C3' 90.68 -10.586 . 0.0 OUTLIER . 75.44 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.062 2 C1'-O4'-C4' 117.005 8.228 . 0.0 OUTLIER zeta-1 74.1 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.826 8.028 . 0.636 1a . 72.2 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.875 2 C1'-O4'-C4' 116.972 8.191 . 0.773 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.054 2 O4'-C4'-C3' 93.44 -8.615 . 0.828 1a . 71.2 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 O4'-C4'-C3' 93.363 -8.669 . 0.62 1a . 74.02 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 117.194 8.438 . 0.019 1L . 73.21 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 O4'-C4'-C3' 91.07 -10.307 . 0.0 OUTLIER . 74.12 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 1 O4'-C4'-C3' 90.554 -10.676 . 0.0 OUTLIER gamma 73.33 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 1 O4'-C4'-C3' 91.024 -10.34 . 0.0 OUTLIER . 73.42 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.839 8.043 . 0.0 OUTLIER gamma 70.02 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 C1'-O4'-C4' 116.772 7.969 . 0.0 OUTLIER . 73.3 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.799 7.999 . 0.401 5n . 74.3 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.752 7.947 . 0.466 1a . 75.24 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 117.163 8.403 . 0.152 1a . 62.25 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.862 8.069 . 0.697 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 116.956 8.174 . 0.746 1a . 73.42 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.806 8.006 . 0.743 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 116.785 7.983 . 0.778 1a . 72.42 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.884 8.093 . 0.744 1a . 74.33 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 O4'-C4'-C3' 93.377 -8.659 . 0.694 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.844 8.049 . 0.246 1a . 73.43 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 O4'-C4'-C3' 91.746 -9.824 . 0.101 1f . 72.44 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 90.89 -10.436 . 0.0 OUTLIER gamma 73.21 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.768 7.965 . 0.0 OUTLIER gamma 73.32 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 117.224 8.471 . 0.0 OUTLIER . 73.42 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 1 O4'-C4'-C3' 90.283 -10.869 . 0.0 OUTLIER . 74.12 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 O4'-C4'-C3' 91.03 -10.336 . 0.519 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 O4'-C4'-C3' 92.934 -8.976 . 0.35 1a . 70.5 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 116.877 8.086 . 0.413 1a . 71.33 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 117.181 8.423 . 0.217 1L . 72.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 3 C1'-O4'-C4' 116.835 8.038 . 0.0 OUTLIER zeta-1 74.04 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 117.285 8.539 . 0.0 OUTLIER . 71.31 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 3 C1'-O4'-C4' 117.063 8.292 . 0.0 OUTLIER . 74.31 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 116.768 7.965 . 0.452 1L . 73.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 117.128 8.365 . 0.482 1a . 74.1 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 116.825 8.027 . 0.566 1a . 73.34 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.801 8.001 . 0.356 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.763 7.959 . 0.168 1a . 75.12 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.818 2 C1'-O4'-C4' 116.908 8.119 . 0.0 OUTLIER zeta-1 74.31 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.833 8.037 . 0.0 OUTLIER . 74.23 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 117.049 8.277 . 0.187 1L . 74.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 94.343 -7.97 . 0.618 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 92.245 -9.468 OUTLIER-EPSILON 0.0 OUTLIER gamma 75.14 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.367 -7.151 2 C1'-O4'-C4' 118.461 9.845 . 0.0 OUTLIER epsilon-1 72.02 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 1 O4'-C4'-C3' 89.82 -11.2 . 0.0 OUTLIER gamma 75.44 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 117.272 8.524 . 0.0 OUTLIER gamma 74.03 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.324 2 O4'-C4'-C3' 92.665 -9.168 . 0.0 OUTLIER '7D dist 1a' 74.4 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 1 O4'-C4'-C3' 91.433 -10.048 . 0.169 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 2 C1'-O4'-C4' 116.567 7.741 . 0.0 OUTLIER '7D dist 5n wannabe' 74.04 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 O4'-C4'-C3' 93.513 -8.562 . 0.082 1a . 73.55 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 116.773 7.97 . 0.329 1a . 74.13 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.832 8.035 . 0.0 OUTLIER . 74.51 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.099 8.332 . 0.687 1a . 72.44 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.788 7.987 . 0.733 1a . 72.03 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 116.723 7.914 . 0.75 1a . 70.34 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.813 8.015 . 0.598 1a . 72.3 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.867 2 O4'-C4'-C3' 93.778 -8.373 . 0.857 1a . 70.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 117.005 8.228 . 0.698 1a . 72.53 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.819 8.021 . 0.786 1a . 72.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 N-CA-C 112.544 -0.222 . . . . 45.03 112.544 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.9 mtt85 -136.53 -62.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 73.42 110.88 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.73 14.45 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 42.41 111.102 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.54 134.39 50.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.946 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.42 -22.33 40.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 71.52 112.501 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.89 144.76 25.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 119.299 -0.381 . . . . 73.32 110.948 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.3 t -99.47 152.35 20.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 73.42 108.297 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -110.84 -30.1 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.984 -1.007 . . . . 74.23 110.88 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.5 m -62.32 -47.4 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 70.22 111.087 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.1 p -106.7 -40.23 5.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 70.51 108.302 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.34 37.53 4.02 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.028 -0.987 . . . . 62.24 112.516 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.26 120.91 46.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 74.53 110.874 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 83.99 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.684 2.256 . . . . 74.4 112.38 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.37 -33.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 75.32 112.467 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -136.78 -178.38 5.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 74.22 110.914 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.46 165.07 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.865 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -51.51 -38.52 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 74.1 110.925 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.49 50.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 53.11 111.105 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -127.43 31.49 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 53.25 110.919 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.7 t -73.6 126.23 89.94 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 122.851 1.31 . . . . 62.12 108.304 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -11.94 31.93 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 73.32 112.36 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.62 -0.57 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.886 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -25.72 60.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.882 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.12 -170.07 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.861 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.4 175.42 8.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 64.22 110.97 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.35 -170.22 3.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 61.11 110.889 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -172.31 -147.65 5.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 64.13 112.469 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -152.67 174.29 14.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 61.2 110.856 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.06 -176.49 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.871 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -170.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 75.1 110.895 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -117.65 26.02 10.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.891 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -107.61 173.23 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 73.4 110.821 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t -123.68 117.38 24.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 70.34 108.364 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.07 29.17 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.012 -0.995 . . . . 61.11 110.939 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.815 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -126.59 -35.93 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.861 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.8 p -130.35 14.35 5.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.62 1.2 . . . . 62.41 108.345 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 59.34 20.92 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.997 -1.001 . . . . 55.45 110.848 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.32 158.08 48.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 44.2 112.49 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -124.57 98.72 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 74.21 110.84 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.25 -57.82 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 74.13 112.453 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -86.42 -173.52 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 73.04 110.862 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -118.53 150.73 39.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 72.31 110.873 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.815 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.98 -39.94 72.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 70.33 111.149 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -61.7 -23.24 65.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.875 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.66 17.08 15.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 63.01 110.852 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.7 t -83.3 133.31 34.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 74.34 108.284 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.57 53.73 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.972 -1.013 . . . . 73.41 110.899 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 148.24 6.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 60.42 110.894 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.07 50.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 54.42 110.862 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 70.43 110.856 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 93.52 -8.557 . 0.0 '__' . 75.22 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 116.992 8.214 . 0.673 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.848 8.053 . 0.719 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.028 2 C1'-O4'-C4' 116.92 8.133 . 0.751 1a . 74.1 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 117.01 8.233 . 0.777 1a . 73.54 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 C1'-O4'-C4' 117.109 8.344 . 0.618 1a . 75.3 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 117.179 8.421 . 0.563 1a . 71.22 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 116.942 8.158 . 0.347 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.184 8.426 . 0.0 OUTLIER gamma 74.32 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.979 3 C1'-O4'-C4' 116.882 8.092 . 0.499 7d . 75.14 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 116.208 7.342 . 0.0 OUTLIER gamma 72.13 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 91.781 -9.799 . 0.479 1a . 73.32 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.828 8.031 . 0.642 1a . 72.51 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.846 2 C1'-O4'-C4' 117.221 8.468 . 0.603 1a . 63.55 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 3 O4'-C4'-C3' 91.507 -9.995 . 0.708 1a . 71.42 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 91.697 -9.859 . 0.0 OUTLIER . 74.22 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 117.131 8.367 . 0.0 OUTLIER . 75.21 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.724 7.916 . 0.697 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 O4'-C4'-C3' 93.332 -8.692 . 0.724 1a . 74.04 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 117.098 8.331 . 0.536 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 93.432 -8.62 . 0.661 1a . 75.03 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.172 8.413 . 0.057 1L . 75.43 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 O4'-C4'-C3' 94.049 -8.18 . 0.0 OUTLIER . 73.45 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 94.075 -8.161 . 0.0 OUTLIER . 74.55 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 1 O4'-C4'-C3' 90.545 -10.682 . 0.0 OUTLIER gamma 71.44 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.839 8.043 . 0.01 1c . 73.53 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 116.855 8.061 . 0.0 OUTLIER . 62.53 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 C1'-O4'-C4' 116.834 8.038 . 0.0 OUTLIER . 75.03 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.796 7.995 . 0.531 1a . 74.51 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 117.101 8.334 . 0.082 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.821 8.023 . 0.459 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 94.177 -8.088 . 0.669 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.867 8.075 . 0.686 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.757 7.952 . 0.684 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 O4'-C4'-C3' 93.658 -8.459 . 0.73 1a . 73.51 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.655 -9.175 . 0.359 1a . 72.31 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.852 8.057 . 0.181 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.366 7.518 . 0.081 &a . 73.44 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 1 O4'-C4'-C3' 90.671 -10.592 . 0.0 OUTLIER . 74.11 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 116.94 8.156 . 0.0 OUTLIER gamma 72.23 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 1 C1'-O4'-C4' 114.801 5.778 . 0.0 OUTLIER gamma 74.22 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 92.486 -9.295 . 0.0 OUTLIER gamma 71.44 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.974 8.193 . 0.425 1a . 71.33 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.839 8.043 . 0.625 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.907 8.118 . 0.507 1a . 73.13 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 117.258 8.509 . 0.161 1L . 70.44 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.75 7.945 . 0.0 OUTLIER gamma 73.55 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 117.307 8.563 . 0.0 OUTLIER . 73.44 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 3 C1'-O4'-C4' 116.867 8.075 . 0.0 OUTLIER . 74.14 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 116.833 8.036 . 0.424 1L . 74.21 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 117.105 8.339 . 0.411 1a . 75.24 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.836 8.04 . 0.783 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 116.781 7.979 . 0.86 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 116.766 7.962 . 0.553 1a . 73.2 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.818 8.02 . 0.0 OUTLIER '7D dist 1a' 73.31 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 116.772 7.969 . 0.331 1m . 75.4 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 117.127 8.363 . 0.355 1L . 75.22 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 117.298 8.553 . 0.0 OUTLIER gamma 74.04 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.417 " C5'" ' OP2' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.403 -4.14 2 O4'-C4'-C3' 92.735 -9.118 OUTLIER-EPSILON 0.0 OUTLIER gamma 63.42 . . . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.417 ' OP2' " C5'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.388 -5.445 2 C1'-O4'-C4' 118.062 9.403 . 0.0 OUTLIER epsilon-1 75.24 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 1 O4'-C4'-C3' 91.036 -10.331 . 0.0 OUTLIER gamma 74.1 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.319 8.577 . 0.0 OUTLIER gamma 73.41 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 2 O4'-C4'-C3' 93.976 -8.232 . 0.18 1L . 74.52 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 1 O4'-C4'-C3' 91.74 -9.828 . 0.234 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.995 3 O4'-C4'-C3' 93.084 -8.868 . 0.015 5n . 74.21 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 117.392 8.657 . 0.0 OUTLIER gamma 75.41 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.868 2 C1'-O4'-C4' 116.8 8.0 . 0.383 1a . 71.22 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 116.73 7.922 . 0.0 OUTLIER . 74.33 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 93.624 -8.483 . 0.321 1a . 75.1 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 116.817 8.019 . 0.515 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 116.718 7.908 . 0.734 1a . 75.2 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.753 7.948 . 0.766 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 O4'-C4'-C3' 93.717 -8.416 . 0.821 1a . 73.33 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 117.153 8.392 . 0.042 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.811 8.012 . 0.47 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.478 -0.249 . . . . 51.2 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.449 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 9.3 mtt180 -67.32 -64.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 65.04 110.873 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 16' ' ' ARG . . . 69.36 7.29 6.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 72.4 111.125 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -64.56 87.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.878 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.92 -18.28 0.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 64.22 112.432 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.85 112.56 24.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 119.348 -0.358 . . . . 64.33 110.826 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -55.26 138.76 44.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 64.13 108.341 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -106.26 39.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.029 -0.987 . . . . 74.13 110.88 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.0 m -139.87 -48.64 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.32 111.147 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -110.47 -37.36 5.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 53.52 108.319 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.72 31.04 4.07 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.021 -0.99 . . . . 44.11 112.43 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -98.85 118.49 62.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.687 0.756 . . . . 64.11 110.814 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 91.92 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.624 2.216 . . . . 40.51 112.384 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 167.88 -70.04 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 64.14 112.499 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -88.78 172.16 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.309 . . . . 71.45 110.958 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.13 173.2 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 73.44 110.881 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -50.41 -41.91 52.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 74.32 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.84 -29.48 69.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 15.22 111.105 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -109.92 18.05 20.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 62.11 110.908 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.1 t -74.62 124.01 89.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.736 1.255 . . . . 73.23 108.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -12.73 33.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.71 2.273 . . . . 64.53 112.316 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -98.54 0.27 44.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 72.03 110.895 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -87.97 112.85 23.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.925 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -159.91 39.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.819 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.19 -170.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 62.41 110.898 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 99.5 p -98.7 -38.37 9.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 61.01 110.945 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.63 154.88 4.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.808 -0.71 . . . . 61.34 112.5 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -146.41 55.51 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 71.03 110.903 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 m 61.56 62.49 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 55.14 110.891 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -118.78 -173.4 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 73.32 110.89 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -112.19 112.98 24.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 72.2 110.936 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -101.85 172.72 6.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 71.52 110.916 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -123.6 117.13 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 73.23 108.292 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.01 29.09 2.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.985 -1.007 . . . . 70.11 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.78 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -126.19 -35.79 2.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.901 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.6 p -130.29 14.24 5.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 62.22 108.344 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.91 20.38 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.99 -1.004 . . . . 63.55 110.883 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.53 159.29 45.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 75.42 112.442 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.9 mtp -126.49 96.82 4.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 74.24 110.845 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.29 -56.63 0.49 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 75.21 112.436 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -87.34 -174.16 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 71.1 110.873 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -117.71 148.14 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 64.2 110.904 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.78 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -53.22 -46.33 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 44.32 111.089 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HG3' " H2'" ' B' ' 168' ' ' ' A' . 0.0 OUTLIER -53.55 -27.31 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 73.31 110.862 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -98.59 -17.63 18.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.55 110.852 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.7 t -66.55 107.62 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 74.32 108.33 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ptt85 -91.41 -171.55 2.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.004 -0.998 . . . . 74.11 110.865 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.98 152.54 3.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.851 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.99 -40.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 73.42 110.902 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 64.31 110.897 179.933 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 116.917 8.129 . 0.0 '__' . 75.11 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.954 8.171 . 0.81 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.86 8.066 . 0.703 1a . 73.05 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.161 8.402 . 0.732 1a . 71.42 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 94.041 -8.185 . 0.805 1a . 75.01 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 117.106 8.34 . 0.691 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 C1'-O4'-C4' 117.186 8.429 . 0.665 1a . 75.4 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 94.181 -8.085 . 0.426 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . 0.402 " H2'" ' HG3' ' A' ' 58' ' ' LYS . . . . . . . . 0 C3'--C2' 1.505 -1.827 2 C1'-O4'-C4' 116.859 8.065 . 0.0 OUTLIER '7D dist 5j' 72.23 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 C1'-O4'-C4' 115.92 7.022 . 0.0 OUTLIER gamma 74.11 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 O4'-C4'-C3' 93.708 -8.423 . 0.143 9a . 75.23 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 93.986 -8.224 . 0.0 OUTLIER gamma 75.21 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 116.822 8.025 . 0.04 1a . 73.43 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 93.77 -8.379 . 0.597 1a . 73.31 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 O4'-C4'-C3' 93.057 -8.888 . 0.771 1a . 72.2 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 3 C1'-O4'-C4' 116.419 7.577 . 0.0 OUTLIER . 75.34 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.039 8.265 . 0.0 OUTLIER . 74.14 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.78 7.978 . 0.585 1a . 75.54 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 93.82 -8.343 . 0.564 1a . 72.31 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 C1'-O4'-C4' 117.148 8.387 . 0.448 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 O4'-C4'-C3' 93.602 -8.499 . 0.654 1a . 73.33 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.225 8.472 . 0.025 1L . 74.13 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 1 C1'-O4'-C4' 104.354 -5.829 OUTLIER-DELTA 0.0 OUTLIER gamma 75.22 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 1 O4'-C4'-C3' 90.562 -10.67 . 0.0 OUTLIER gamma 75.53 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 116.796 7.996 . 0.0 OUTLIER . 74.4 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 3 C1'-O4'-C4' 116.784 7.983 . 0.158 1f . 74.33 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.805 8.006 . 0.084 1c . 65.13 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.736 7.929 . 0.074 5n . 74.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 C1'-O4'-C4' 116.796 7.996 . 0.514 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 O4'-C4'-C3' 94.06 -8.172 . 0.333 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 C1'-O4'-C4' 116.854 8.059 . 0.829 1a . 75.52 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.092 8.325 . 0.6 1a . 73.44 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.071 2 C1'-O4'-C4' 116.811 8.012 . 0.776 1a . 73.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 116.812 8.013 . 0.851 1a . 75.54 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.994 8.215 . 0.592 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 94.144 -8.112 . 0.736 1a . 72.01 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.803 8.004 . 0.624 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 1 C1'-O4'-C4' 113.712 4.569 . 0.0 OUTLIER . 74.2 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 1 O4'-C4'-C3' 90.699 -10.572 . 0.0 OUTLIER gamma 74.03 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.82 8.022 . 0.0 OUTLIER . 72.24 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 117.302 8.558 . 0.0 OUTLIER . 72.42 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 90.175 -10.946 . 0.565 1e . 72.24 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 91.575 -9.947 . 0.413 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 92.396 -9.36 . 0.387 1a . 71.1 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.896 8.106 . 0.549 1a . 71.31 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 117.308 8.565 . 0.165 1L . 74.41 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 3 C1'-O4'-C4' 116.754 7.949 . 0.0 OUTLIER zeta-1 72.4 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 117.237 8.485 . 0.0 OUTLIER '7D dist &a' 74.52 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 3 C1'-O4'-C4' 116.999 8.221 . 0.0 OUTLIER . 74.45 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.769 7.966 . 0.456 1L . 72.23 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 C1'-O4'-C4' 117.092 8.324 . 0.46 1a . 75.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.828 8.031 . 0.384 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.793 7.992 . 0.242 1a . 75.21 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.778 7.976 . 0.01 1a . 73.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.841 8.045 . 0.0 OUTLIER zeta-1 71.03 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 C1'-O4'-C4' 116.786 7.985 . 0.35 1m . 75.35 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.069 8.299 . 0.354 1L . 64.51 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.753 7.947 . 0.12 1a . 74.54 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.488 " O2'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.401 3 O4'-C4'-C3' 92.401 -9.356 OUTLIER-EPSILON 0.0 OUTLIER . 74.03 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.488 ' OP1' " O2'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.309 -11.997 2 C5'-C4'-O4' 122.273 9.338 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 75.25 . . . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 1 O4'-C4'-C3' 89.966 -11.096 . 0.0 OUTLIER delta-1 75.3 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 117.043 8.27 . 0.0 OUTLIER gamma 74.41 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 2 O4'-C4'-C3' 92.685 -9.154 . 0.28 1L . 63.33 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 2 O4'-C4'-C3' 91.803 -9.784 . 0.165 1a . 73.52 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.979 -8.944 . 0.0 OUTLIER . 74.12 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.897 2 O4'-C4'-C3' 93.894 -8.29 . 0.01 1L . 74.34 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.797 7.997 . 0.741 1a . 73.21 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.746 7.94 . 0.0 OUTLIER '7D dist 3a' 75.12 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 93.986 -8.224 . 0.445 1a . 73.21 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.775 7.972 . 0.605 1a . 63.31 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.82 8.022 . 0.638 1a . 72.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 116.852 8.057 . 0.348 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 94.095 -8.146 . 0.748 1a . 72.11 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 117.136 8.374 . 0.638 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.765 7.961 . 0.655 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.546 -0.222 . . . . 45.03 112.546 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.1 95.21 5.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 73.04 110.876 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.06 20.89 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 61.23 111.131 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.73 131.28 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.14 110.833 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.36 -28.9 10.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 34.33 112.494 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.1 120.12 41.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 119.308 -0.377 . . . . 70.04 110.96 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.8 t -68.18 150.22 48.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 54.5 108.266 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.429 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 3.4 t80 -114.7 -24.83 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.001 -0.999 . . . . 74.25 110.887 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.0 m -64.54 -44.22 91.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 72.22 111.115 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.7 p -112.74 -38.16 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 34.14 108.259 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.29 34.73 4.11 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.024 -0.989 . . . . 62.21 112.488 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 t -98.7 120.47 58.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.676 0.751 . . . . 73.45 110.905 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 92.03 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.669 2.246 . . . . 72.35 112.373 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.23 -68.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 71.11 112.474 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -91.47 -172.15 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.744 0.306 . . . . 73.34 110.861 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.99 177.09 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 65.2 110.856 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -50.5 -44.58 56.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 72.15 110.924 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.27 52.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 62.21 111.108 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -124.9 31.52 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.909 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.3 t -83.22 120.78 76.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.773 1.273 . . . . 74.14 108.351 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -14.28 35.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 72.41 112.373 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -96.3 0.32 50.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 73.11 110.925 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.86 154.7 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 62.14 110.916 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.27 111.94 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 75.22 110.828 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -154.36 154.13 32.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.914 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -179.3 129.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 75.12 110.883 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 172.27 -176.08 45.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 75.15 112.423 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.05 157.57 46.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.33 . . . . 73.44 110.897 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.24 159.74 41.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 64.2 110.859 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -149.06 120.71 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 65.01 110.896 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 55.7 90.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.878 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.64 174.23 5.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 73.51 110.873 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.9 t -125.05 116.83 22.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 75.22 108.24 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' HB2' " H2'" ' B' ' 167' ' ' ' C' . 0.0 OUTLIER -94.88 28.77 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.997 -1.001 . . . . 75.01 110.904 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.829 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.64 -35.93 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.42 110.88 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.8 p -130.29 14.37 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 70.12 108.294 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 59.72 20.45 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.979 -1.009 . . . . 74.52 110.85 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.24 157.5 49.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 64.31 112.502 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.36 97.94 5.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 65.24 110.812 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.21 -57.9 0.49 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.778 -0.725 . . . . 43.42 112.564 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -86.12 -173.69 4.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.786 0.327 . . . . 71.05 110.855 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -117.42 150.39 38.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.829 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.54 -37.65 73.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 73.52 111.085 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -21.9 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 61.01 110.871 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -114.81 13.76 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 71.32 110.96 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.0 t -91.41 138.63 31.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 63.44 108.325 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 62.48 163.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.993 -1.003 . . . . 73.2 110.875 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.38 173.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 74.31 110.955 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.1 101.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 65.4 110.888 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.832 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 93.864 -8.312 . 0.0 '__' . 74.13 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.995 8.216 . 0.51 1a . 74.13 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 116.779 7.976 . 0.796 1a . 75.35 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 93.399 -8.644 . 0.791 1a . 73.31 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 93.381 -8.656 . 0.8 1a . 73.35 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 94.021 -8.199 . 0.693 1a . 72.55 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.845 2 C1'-O4'-C4' 117.162 8.402 . 0.868 1a . 72.23 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . 0.403 " H2'" ' HB2' ' A' ' 48' ' ' GLN . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.06 8.289 . 0.642 1a . 74.53 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 91.604 -9.926 . 0.0 OUTLIER gamma 73.41 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.101 8.335 . 0.0 OUTLIER . 74.23 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 O4'-C4'-C3' 93.092 -8.863 . 0.08 9a . 73.34 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.926 8.14 . 0.0 OUTLIER . 74.32 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.814 8.015 . 0.31 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 117.001 8.224 . 0.823 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 3 O4'-C4'-C3' 91.721 -9.842 . 0.785 1a . 73.32 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 1 O4'-C4'-C3' 90.331 -10.835 . 0.0 OUTLIER gamma 75.35 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.078 8.309 . 0.0 OUTLIER . 75.41 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.852 8.057 . 0.745 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 92.203 -9.498 . 0.778 1a . 71.54 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 92.168 -9.523 . 0.789 1a . 70.32 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 O4'-C4'-C3' 92.872 -9.02 . 0.645 1a . 74.5 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 117.134 8.371 . 0.04 1L . 74.41 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 1 C1'-O4'-C4' 104.144 -6.062 OUTLIER-DELTA 0.01 1g . 71.43 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.983 8.203 . 0.0 OUTLIER . 74.41 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 93.808 -8.352 . 0.0 OUTLIER gamma 72.33 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 116.797 7.997 . 0.0 OUTLIER '7D dist 1c' 73.22 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 3 C1'-O4'-C4' 116.719 7.91 . 0.0 OUTLIER . 74.44 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 3 C1'-O4'-C4' 116.785 7.983 . 0.0 OUTLIER . 75.53 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.766 7.962 . 0.399 1a . 73.13 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.137 8.374 . 0.062 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 C1'-O4'-C4' 116.858 8.065 . 0.377 1a . 73.41 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 C1'-O4'-C4' 116.97 8.189 . 0.488 1a . 73.35 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.859 2 C1'-O4'-C4' 116.811 8.012 . 0.551 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.855 8.061 . 0.837 1a . 74.02 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 O4'-C4'-C3' 93.909 -8.28 . 0.638 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 117.053 8.281 . 0.486 1a . 75.35 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 C1'-O4'-C4' 116.778 7.976 . 0.261 1m . 75.11 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 92.104 -9.569 . 0.0 OUTLIER . 72.22 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 3 O4'-C4'-C3' 91.125 -10.268 . 0.0 OUTLIER . 72.55 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 116.926 8.14 . 0.0 OUTLIER . 73.32 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 117.214 8.46 . 0.0 OUTLIER '7D dist 5d' 75.23 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 90.174 -10.947 . 0.452 1e . 74.54 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 O4'-C4'-C3' 91.113 -10.276 . 0.54 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 O4'-C4'-C3' 92.763 -9.098 . 0.449 1a . 75.3 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.929 8.143 . 0.244 1a . 75.31 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.442 " H2'" ' C8 ' ' B' ' 206' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 117.333 8.592 . 0.122 1L . 73.24 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . 0.442 ' C8 ' " H2'" ' B' ' 205' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.835 8.038 . 0.0 OUTLIER zeta-1 75.33 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 117.223 8.47 . 0.0 OUTLIER . 73.15 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 3 C1'-O4'-C4' 116.904 8.116 . 0.0 OUTLIER . 64.54 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.808 8.009 . 0.455 1L . 75.41 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.897 8.108 . 0.477 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 116.826 8.028 . 0.608 1a . 64.44 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.782 7.98 . 0.466 1a . 74.2 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.867 8.074 . 0.396 1a . 74.03 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 116.762 7.958 . 0.0 OUTLIER zeta-1 74.52 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.737 7.93 . 0.656 1a . 74.55 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 C1'-O4'-C4' 117.302 8.558 . 0.096 1L . 74.4 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.986 2 O4'-C4'-C3' 92.699 -9.143 . 0.265 1L . 70.42 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.429 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 90.975 -10.375 . 0.0 OUTLIER . 74.12 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.414 ' C5 ' ' OP2' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.378 -6.255 1 C1'-O4'-C4' 116.062 7.18 . 0.0 OUTLIER gamma 75.43 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . 0.429 ' N7 ' " H2'" ' B' ' 218' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.872 1 O4'-C4'-C3' 91.196 -10.217 . 0.0 OUTLIER gamma 73.54 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.814 8.016 . 0.01 1a . 72.34 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 O4'-C4'-C3' 92.326 -9.41 . 0.288 1a . 72.21 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . 0.573 " O2'" " O5'" ' B' ' 224' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.318 2 C1'-O4'-C4' 117.785 9.094 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 75.1 . . . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . 0.573 " O5'" " O2'" ' B' ' 223' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.008 2 O4'-C4'-C3' 93.34 -8.686 . 0.0 OUTLIER epsilon-1 72.51 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 117.268 8.52 . 0.119 1L . 70.34 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 116.79 7.989 . 0.502 1a . 71.33 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 116.847 8.052 . 0.166 1m . 73.4 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 117.125 8.361 . 0.657 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.822 8.024 . 0.649 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.798 7.997 . 0.707 1a . 73.32 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.76 7.955 . 0.826 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 94.008 -8.208 . 0.893 1a . 74.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.074 8.304 . 0.681 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.794 7.993 . 0.487 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.438 -0.265 . . . . 51.04 112.438 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -92.41 -54.72 3.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 75.4 110.876 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.6 16.04 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.13 111.111 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 130.28 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.923 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.74 -28.71 13.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 60.55 112.541 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.6 112.84 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 119.285 -0.388 . . . . 73.14 110.912 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 t -71.58 146.84 48.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 51.31 108.285 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.475 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 3.9 t80 -111.93 -24.7 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.038 -0.983 . . . . 73.31 110.901 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -65.59 -40.8 93.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 73.12 111.1 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.0 p -112.62 -39.0 4.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 61.13 108.279 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.42 38.34 3.29 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.035 -0.984 . . . . 63.25 112.507 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.83 129.56 23.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.733 0.778 . . . . 52.24 110.844 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 170.53 16.43 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.584 2.19 . . . . 71.54 112.34 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.37 -18.36 57.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 41.14 112.551 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -154.46 171.52 19.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 64.22 110.88 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.99 179.3 5.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.226 -0.443 . . . . 71.15 110.869 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.98 -43.52 40.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 75.21 110.87 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.19 -31.4 65.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 45.13 111.085 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -117.52 29.65 7.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 74.1 110.836 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 t -77.89 124.73 86.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.774 1.273 . . . . 54.54 108.344 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.79 -10.57 28.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 73.31 112.28 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -100.79 0.39 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.853 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.38 101.36 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 74.21 110.912 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -58.19 152.95 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 73.51 110.846 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -171.37 -50.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 63.23 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.67 164.08 6.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 53.33 110.861 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -109.34 -61.24 0.52 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 51.42 112.438 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.39 -179.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 74.12 110.832 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -162.51 71.5 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 70.22 110.859 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -151.66 145.54 25.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.23 110.872 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.43 111.14 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.92 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -101.66 173.54 6.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 64.14 110.825 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -124.48 117.17 23.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 70.43 108.309 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -94.99 28.55 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.956 -1.02 . . . . 75.41 110.94 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.84 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.53 -36.19 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 70.21 110.955 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.0 p -129.93 14.53 5.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 41.01 108.269 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 59.41 20.67 9.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.003 -0.999 . . . . 75.43 110.886 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.04 157.49 48.85 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 62.44 112.47 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -124.07 97.87 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 61.1 110.891 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.0 -57.31 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 40.24 112.466 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -87.18 -173.57 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 45.14 110.888 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -118.31 151.22 38.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.937 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.84 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -58.09 -35.23 71.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 65.24 111.081 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -22.28 66.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.891 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -115.61 14.9 16.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 73.24 110.901 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.3 t -92.35 136.26 33.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 61.11 108.37 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 52.11 61.28 3.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.049 -0.978 . . . . 71.33 110.861 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -138.44 154.53 48.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 72.44 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -148.53 91.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 72.04 110.874 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.852 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 O4'-C4'-C3' 94.152 -8.106 . 0.0 '__' . 74.34 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 94.213 -8.062 . 0.654 1a . 70.53 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 116.819 8.021 . 0.783 1a . 73.24 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 93.458 -8.602 . 0.822 1a . 71.34 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 94.108 -8.137 . 0.745 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 O4'-C4'-C3' 93.693 -8.433 . 0.787 1a . 72.24 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.861 8.068 . 0.853 1a . 74.04 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 92.767 -9.095 . 0.778 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 O4'-C4'-C3' 93.557 -8.531 . 0.0 OUTLIER . 73.44 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.856 8.062 . 0.0 OUTLIER . 72.23 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.163 8.403 . 0.185 9a . 73.24 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.018 2 O4'-C4'-C3' 93.885 -8.297 . 0.0 OUTLIER gamma 74.35 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 116.878 8.087 . 0.01 1a . 73.31 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 117.053 8.281 . 0.842 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 93.304 -8.711 . 0.656 1a . 75.23 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 90.931 -10.406 . 0.0 OUTLIER . 72.54 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 117.232 8.48 . 0.0 OUTLIER zeta-1 74.43 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.844 8.049 . 0.657 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 C1'-O4'-C4' 117.134 8.371 . 0.845 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.216 8.463 . 0.744 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 O4'-C4'-C3' 93.489 -8.579 . 0.649 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 117.237 8.485 . 0.046 1L . 71.11 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 91.628 -9.909 . 0.0 OUTLIER . 74.25 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 O4'-C4'-C3' 91.448 -10.037 . 0.0 OUTLIER gamma 74.31 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 90.582 -10.655 . 0.0 OUTLIER . 72.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.853 8.059 . 0.0 OUTLIER . 74.22 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.76 7.956 . 0.0 OUTLIER . 74.02 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 116.864 8.071 . 0.0 OUTLIER . 74.51 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.842 8.047 . 0.476 1a . 74.3 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 117.197 8.441 . 0.063 1a . 75.1 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.803 8.004 . 0.731 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 93.911 -8.278 . 0.869 1a . 72.55 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 116.783 7.981 . 0.617 1a . 64.25 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 116.826 8.029 . 0.863 1a . 73.04 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 C1'-O4'-C4' 117.112 8.347 . 0.609 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 O4'-C4'-C3' 93.817 -8.345 . 0.64 1a . 73.43 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.798 7.998 . 0.676 1a . 72.01 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 1 O4'-C4'-C3' 90.732 -10.548 . 0.0 OUTLIER . 73.04 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 1 O4'-C4'-C3' 90.864 -10.454 . 0.0 OUTLIER gamma 75.24 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.803 8.003 . 0.0 OUTLIER . 73.43 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.198 8.442 . 0.0 OUTLIER . 75.02 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 90.215 -10.918 . 0.452 1e . 73.32 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 O4'-C4'-C3' 92.532 -9.263 . 0.329 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.231 8.478 . 0.242 1a . 73.05 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 116.863 8.07 . 0.69 1a . 73.5 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.219 8.465 . 0.276 1L . 75.53 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 3 C1'-O4'-C4' 116.856 8.063 . 0.0 OUTLIER zeta-1 73.15 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.254 8.505 . 0.0 OUTLIER . 74.32 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 3 C1'-O4'-C4' 117.133 8.37 . 0.0 OUTLIER . 74.43 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 116.797 7.997 . 0.449 1L . 74.4 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 117.043 8.27 . 0.33 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 116.837 8.041 . 0.328 1a . 75.31 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.828 8.032 . 0.233 1a . 70.41 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 3 O4'-C4'-C3' 94.28 -8.014 . 0.657 1a . 64.01 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.869 8.076 . 0.018 1m . 74.32 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 94.025 -8.197 . 0.552 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 92.245 -9.468 . 0.451 1L . 71.41 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.709 7.899 . 0.0 OUTLIER gamma 73.34 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.475 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 O4'-C4'-C3' 92.142 -9.542 . 0.0 OUTLIER gamma 74.54 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.314 -11.603 1 C5'-C4'-O4' 118.421 6.587 OUTLIER-DELTA 0.0 OUTLIER delta 75.43 . . . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 89.956 -11.103 . 0.0 OUTLIER delta-1 73.45 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.838 2 C1'-O4'-C4' 117.076 8.307 . 0.419 1L . 74.3 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 1 O4'-C4'-C3' 91.245 -10.182 . 0.733 1L . 63.22 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . 0.594 " O2'" " O5'" ' B' ' 224' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.398 -4.562 2 O4'-C4'-C3' 94.336 -7.974 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 71.24 . . . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . 0.594 " O5'" " O2'" ' B' ' 223' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 92.568 -9.237 . 0.0 OUTLIER epsilon-1 64.31 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 93.922 -8.27 . 0.01 1L . 75.51 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.861 8.068 . 0.346 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 116.77 7.967 . 0.01 9a . 73.31 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.874 8.082 . 0.757 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.775 7.973 . 0.351 1a . 74.2 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.801 8.001 . 0.762 1a . 72.41 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.842 8.046 . 0.769 1a . 75.31 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 93.456 -8.603 . 0.731 1a . 74.02 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.11 8.345 . 0.68 1a . 71.53 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 C1'-O4'-C4' 116.798 7.998 . 0.716 1a . 71.44 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.508 -0.237 . . . . 73.23 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -52.94 -70.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 71.11 110.885 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.73 14.72 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.33 111.139 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 128.52 24.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.94 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.61 -27.95 16.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.789 -0.72 . . . . 74.15 112.505 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.68 124.57 48.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 119.288 -0.387 . . . . 53.03 110.922 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.1 t -73.44 150.47 41.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 74.15 108.295 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.1 t80 -115.69 -24.22 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.002 -0.999 . . . . 73.2 110.891 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.3 m -65.22 -43.46 91.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 51.34 111.154 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -112.69 -38.07 4.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 72.45 108.249 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.6 35.03 3.92 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.075 -0.966 . . . . 75.33 112.472 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.58 119.57 59.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 75.3 110.848 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 92.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.757 2.304 . . . . 53.24 112.336 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.89 -67.1 0.2 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 41.44 112.514 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -92.83 -172.7 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 74.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.18 177.7 7.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 73.15 110.963 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -50.28 -43.14 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.04 110.881 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.26 -29.47 63.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 74.35 111.083 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -119.26 28.28 8.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 54.13 110.997 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.0 t -84.2 124.16 74.4 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 122.804 1.287 . . . . 61.15 108.278 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -12.52 33.05 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.672 2.248 . . . . 72.03 112.301 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.62 0.7 45.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 74.1 110.906 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.78 104.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.88 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.13 77.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 72.51 110.882 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.6 -64.67 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.905 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.5 m -73.49 165.25 25.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 65.31 110.761 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.48 118.16 1.78 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 73.35 112.459 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -98.11 106.83 19.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 73.04 110.887 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.3 m -118.98 -37.77 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 53.4 110.861 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.49 34.29 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 74.42 110.881 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -156.45 32.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.929 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -102.16 172.72 6.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.07 -0.514 . . . . 72.21 110.876 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -123.44 117.38 25.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 72.23 108.288 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.27 28.66 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.995 -1.002 . . . . 74.15 110.845 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.813 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.78 -36.1 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.929 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.94 14.47 5.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 72.03 108.362 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.39 20.68 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.966 -1.015 . . . . 75.01 110.912 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.77 158.47 47.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.784 -0.722 . . . . 64.25 112.542 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 ttt -125.06 97.93 5.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.894 0.378 . . . . 74.35 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.73 -57.46 0.5 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 72.4 112.514 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -86.83 -173.67 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 73.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -118.12 151.63 37.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.935 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.813 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.6 -37.11 72.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 51.51 111.021 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -62.17 -22.15 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 64.53 110.882 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -116.46 16.31 15.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 73.35 110.947 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.98 118.91 29.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 75.42 108.415 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -76.36 165.71 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.078 -0.965 . . . . 71.14 110.891 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -107.87 -65.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.883 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 ttp85 -172.22 -73.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 63.2 110.843 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 O4'-C4'-C3' 93.81 -8.35 . 0.0 '__' . 72.43 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.95 8.166 . 0.62 1a . 71.34 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 116.785 7.983 . 0.554 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 117.124 8.36 . 0.581 1a . 74.54 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 O4'-C4'-C3' 93.845 -8.325 . 0.79 1a . 65.32 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 93.057 -8.888 . 0.781 1a . 73.54 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.957 8.174 . 0.7 1a . 72.22 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.866 2 C1'-O4'-C4' 116.937 8.152 . 0.741 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.186 8.429 . 0.0 OUTLIER alpha 73.32 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 116.824 8.026 . 0.0 OUTLIER gamma 72.4 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.055 2 O4'-C4'-C3' 94.154 -8.104 . 0.0 OUTLIER '7D dist 3a' 73.53 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.018 2 O4'-C4'-C3' 92.928 -8.98 . 0.0 OUTLIER . 74.13 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 116.765 7.961 . 0.73 1a . 75.04 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 C1'-O4'-C4' 117.226 8.473 . 0.705 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.964 8.182 . 0.623 1a . 71.43 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 91.503 -9.998 . 0.0 OUTLIER . 74.45 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 116.929 8.143 . 0.0 OUTLIER . 74.4 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.736 7.929 . 0.544 1a . 72.41 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 93.852 -8.32 . 0.576 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.868 2 C1'-O4'-C4' 117.177 8.419 . 0.639 1a . 73.12 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.824 3 O4'-C4'-C3' 93.421 -8.628 . 0.655 1a . 73.3 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 117.245 8.495 . 0.036 1L . 74.11 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.831 1 O4'-C4'-C3' 90.741 -10.542 . 0.0 OUTLIER gamma 72.11 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 116.526 7.695 . 0.0 OUTLIER gamma 65.21 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.849 2 O4'-C4'-C3' 91.659 -9.886 . 0.0 OUTLIER . 75.24 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.793 7.993 . 0.0 OUTLIER gamma 64.31 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 116.858 8.065 . 0.0 OUTLIER zeta-1 72.11 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 C1'-O4'-C4' 116.776 7.973 . 0.0 OUTLIER . 70.31 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 116.82 8.022 . 0.442 1a . 73.45 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.159 8.399 . 0.083 1a . 73.31 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 116.884 8.093 . 0.682 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 117.154 8.393 . 0.142 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 116.847 8.052 . 0.156 1a . 72.32 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.822 8.025 . 0.718 1a . 72.45 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 117.191 8.434 . 0.149 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 94.05 -8.179 . 0.69 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.818 8.02 . 0.01 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.675 7.861 . 0.0 OUTLIER . 71.12 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 92.133 -9.548 . 0.0 OUTLIER gamma 74.34 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 C1'-O4'-C4' 116.857 8.064 . 0.0 OUTLIER gamma 74.11 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.038 2 C1'-O4'-C4' 117.208 8.454 . 0.0 OUTLIER '7D dist 3g wannabe' 75.25 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 91.038 -10.33 . 0.0 OUTLIER . 52.24 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 O4'-C4'-C3' 92.576 -9.232 . 0.439 1a . 73.24 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 94.21 -8.064 . 0.329 1a . 73.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.905 8.117 . 0.6 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 117.24 8.489 . 0.105 1L . 74.44 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.832 8.036 . 0.0 OUTLIER . 75.22 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.06 2 C1'-O4'-C4' 117.278 8.532 . 0.0 OUTLIER . 70.13 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 92.678 -9.159 . 0.0 OUTLIER . 72.43 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.833 8.037 . 0.0 OUTLIER zeta-1 72.11 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 O4'-C4'-C3' 93.906 -8.282 . 0.503 1a . 73.14 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 116.745 7.939 . 0.823 1a . 72.05 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.775 7.972 . 0.522 1a . 72.34 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.8 7.999 . 0.405 1a . 73.52 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 116.78 7.978 . 0.0 OUTLIER zeta-1 75.13 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.833 8.037 . 0.01 1m . 74.42 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 117.427 8.696 . 0.284 1L . 74.41 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.034 2 C1'-O4'-C4' 117.614 8.904 . 0.383 1a . 72.44 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.427 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -2.03 3 O4'-C4'-C3' 93.824 -8.34 . 0.351 1g . 65.03 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.606 " O2'" ' OP2' ' B' ' 220' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.361 -7.631 2 C1'-O4'-C4' 118.575 9.973 OUTLIER-EPSILON 0.163 3g . 73.01 . . . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . 0.606 ' OP2' " O2'" ' B' ' 219' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.9 1 O4'-C4'-C3' 91.73 -9.835 . 0.0 OUTLIER epsilon-1 72.32 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 O4'-C4'-C3' 93.187 -8.795 . 0.0 OUTLIER gamma 75.15 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 O4'-C4'-C3' 92.129 -9.551 . 0.166 1L . 71.1 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 1 O4'-C4'-C3' 91.517 -9.988 . 0.164 1a . 75.02 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 2 C1'-O4'-C4' 116.628 7.809 . 0.0 OUTLIER '7D dist 5n wannabe' 73.33 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 117.322 8.58 . 0.0 OUTLIER '7D dist 1a' 74.24 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 116.77 7.967 . 0.429 1a . 73.35 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.058 2 C1'-O4'-C4' 116.806 8.006 . 0.0 OUTLIER . 72.44 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 C1'-O4'-C4' 117.161 8.401 . 0.726 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.833 8.036 . 0.725 1a . 71.52 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.831 8.034 . 0.608 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.804 8.004 . 0.762 1a . 73.51 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 94.175 -8.089 . 0.775 1a . 70.43 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.97 8.189 . 0.495 1a . 73.25 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.815 8.017 . 0.815 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.563 -0.215 . . . . 45.03 112.563 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -82.52 146.72 29.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 74.4 110.884 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.16 17.32 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 75.31 111.111 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 135.0 28.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 71.12 110.815 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.09 -22.63 39.68 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 61.2 112.468 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.18 122.86 47.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.319 -0.372 . . . . 74.44 110.876 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.1 t -69.45 150.67 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 71.12 108.306 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.41 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.0 t80 -116.14 -23.82 8.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.022 -0.99 . . . . 75.22 110.879 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 m -66.07 -43.49 87.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.23 111.157 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.0 p -111.73 -37.97 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 73.12 108.276 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.02 35.27 4.02 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.026 -0.988 . . . . 73.12 112.462 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 t -100.59 119.07 59.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.646 0.736 . . . . 60.24 110.862 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 94.27 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 73.2 112.359 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.7 -65.7 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 70.34 112.51 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -94.41 -174.19 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 74.31 110.867 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.6 176.6 8.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 75.23 110.94 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -51.51 -42.84 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 51.4 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.25 61.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 61.42 111.077 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -122.93 26.22 8.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.903 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -81.11 124.14 81.3 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 122.775 1.274 . . . . 74.34 108.361 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -12.11 32.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.654 2.236 . . . . 53.03 112.326 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -98.75 0.58 44.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 74.44 110.891 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -62.87 1.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 75.43 110.927 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.27 -175.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 72.43 110.907 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -93.33 137.31 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 74.0 110.999 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.4 t -175.02 123.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 70.22 110.846 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.5 175.44 26.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.807 -0.711 . . . . 62.45 112.481 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -174.46 161.48 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 34.24 110.824 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.03 175.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 72.43 110.878 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.5 42.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 71.52 110.86 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -129.5 -66.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.868 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -98.86 168.06 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 54.12 110.958 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.8 t -118.46 118.26 31.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 74.51 108.349 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.23 31.43 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.016 -0.993 . . . . 63.5 110.928 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.75 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -129.27 -35.47 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.848 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 p -131.25 14.9 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 61.54 108.273 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.9 t30 59.17 20.65 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.981 -1.009 . . . . 71.43 110.932 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.83 160.21 38.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.786 -0.721 . . . . 72.22 112.487 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.01 95.32 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.331 . . . . 71.35 110.897 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.57 -57.93 0.48 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.723 -0.751 . . . . 74.31 112.449 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -86.41 -173.15 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 73.23 110.863 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -120.02 153.19 36.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 74.51 110.816 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.75 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.57 -42.99 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 71.51 111.118 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -21.61 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 71.4 110.894 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -121.8 24.91 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 64.35 110.892 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.2 t -80.63 89.08 5.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 74.24 108.25 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.57 -47.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.996 -1.002 . . . . 64.33 110.848 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.42 179.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 64.41 110.875 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.75 158.33 44.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 74.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.835 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.874 8.082 . 0.0 '__' . 73.23 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 C1'-O4'-C4' 117.18 8.422 . 0.784 1a . 73.35 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.803 8.003 . 0.746 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 92.457 -9.316 . 0.751 1a . 73.4 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 92.955 -8.961 . 0.788 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 93.197 -8.788 . 0.851 1a . 63.43 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 117.043 8.27 . 0.617 1a . 72.3 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 C1'-O4'-C4' 117.127 8.363 . 0.253 1a . 64.24 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.181 1 C1'-O4'-C4' 104.395 -5.783 OUTLIER-DELTA 0.0 OUTLIER . 74.13 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 90.613 -10.634 . 0.0 OUTLIER . 75.21 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 O4'-C4'-C3' 92.32 -9.414 . 0.01 3a . 73.11 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.27 8.523 . 0.132 1a . 64.21 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 C1'-O4'-C4' 116.846 8.051 . 0.625 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 117.139 8.376 . 0.538 1a . 74.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.845 2 O4'-C4'-C3' 94.063 -8.169 . 0.694 1a . 75.01 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.856 8.062 . 0.0 OUTLIER gamma 74.42 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.983 8.204 . 0.0 OUTLIER . 74.35 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 116.753 7.947 . 0.553 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 93.963 -8.241 . 0.673 1a . 75.25 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 117.183 8.426 . 0.276 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 O4'-C4'-C3' 93.503 -8.569 . 0.635 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 117.241 8.491 . 0.025 1L . 74.24 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.617 7.796 . 0.0 OUTLIER gamma 73.25 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 1 C1'-O4'-C4' 104.296 -5.894 OUTLIER-DELTA 0.0 OUTLIER . 74.12 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 1 O4'-C4'-C3' 90.286 -10.867 . 0.0 OUTLIER . 70.33 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.858 8.065 . 0.0 OUTLIER . 73.13 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.827 8.03 . 0.0 OUTLIER . 74.13 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.801 8.001 . 0.0 OUTLIER . 72.04 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.793 7.993 . 0.491 1a . 75.23 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 94.133 -8.119 . 0.347 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 C1'-O4'-C4' 116.803 8.003 . 0.258 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 117.088 8.32 . 0.342 1a . 74.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 C1'-O4'-C4' 116.804 8.005 . 0.607 1a . 73.23 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.055 2 C1'-O4'-C4' 116.801 8.001 . 0.593 1a . 75.51 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.202 8.446 . 0.502 1a . 73.51 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.896 8.107 . 0.647 1a . 73.11 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.778 7.975 . 0.011 1a . 74.04 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 3 C1'-O4'-C4' 117.161 8.401 . 0.0 OUTLIER . 74.53 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . 0.608 " H2'" " H1'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.061 1 O4'-C4'-C3' 90.097 -11.002 . 0.0 OUTLIER gamma 75.04 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.954 8.171 . 0.0 OUTLIER . 70.13 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . 0.608 " H1'" " H2'" ' B' ' 198' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.491 3.151 2 C1'-O4'-C4' 114.715 5.683 . 0.0 OUTLIER . 74.33 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 93.885 -8.297 . 0.0 OUTLIER gamma 72.12 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.191 -8.792 . 0.666 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 94.2 -8.072 . 0.626 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 116.893 8.104 . 0.649 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.254 8.504 . 0.156 1L . 75.01 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.791 7.99 . 0.0 OUTLIER gamma 74.52 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.409 " H4'" ' C6 ' ' B' ' 209' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 C1'-O4'-C4' 117.206 8.452 . 0.0 OUTLIER . 74.02 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 3 C1'-O4'-C4' 116.867 8.074 . 0.0 OUTLIER . 71.41 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.409 ' C6 ' " H4'" ' B' ' 207' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.804 8.005 . 0.43 1L . 75.24 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.064 2 C1'-O4'-C4' 116.984 8.204 . 0.42 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 116.778 7.975 . 0.253 1a . 70.41 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.88 8.088 . 0.277 1a . 64.04 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.844 8.049 . 0.381 1a . 70.12 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.867 2 C1'-O4'-C4' 116.836 8.04 . 0.0 OUTLIER . 70.53 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.556 7.729 . 0.333 1a . 73.11 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 94.155 -8.103 . 0.101 1a . 74.33 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 117.285 8.538 . 0.0 OUTLIER gamma 74.11 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.41 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 O4'--C4' 1.427 -2.149 2 O4'-C4'-C3' 91.947 -9.681 OUTLIER-EPSILON 0.0 OUTLIER gamma 71.21 . . . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.403 ' OP2' " C5'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.384 -5.739 2 C1'-O4'-C4' 118.119 9.466 . 0.0 OUTLIER epsilon-1 71.24 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 1 O4'-C4'-C3' 91.237 -10.188 . 0.0 OUTLIER gamma 72.11 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.651 7.834 . 0.011 1L . 74.12 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 2 O4'-C4'-C3' 92.832 -9.048 . 0.0 OUTLIER gamma 71.2 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 1 O4'-C4'-C3' 91.61 -9.921 . 0.171 1a . 74.51 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 2 C1'-O4'-C4' 116.666 7.851 . 0.01 5n . 64.34 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 117.154 8.393 . 0.019 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 3 C1'-O4'-C4' 116.726 7.918 . 0.157 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 116.744 7.938 . 0.115 1L . 70.54 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 93.018 -8.916 . 0.328 1a . 75.3 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 116.829 8.032 . 0.164 1a . 72.25 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.847 8.052 . 0.173 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 116.84 8.044 . 0.459 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 94.04 -8.186 . 0.779 1a . 61.52 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.269 8.521 . 0.349 1a . 75.03 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 116.794 7.993 . 0.746 1a . 64.4 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.513 -0.235 . . . . 45.03 112.513 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.2 -75.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.806 0.336 . . . . 70.35 110.902 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.89 16.31 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 63.51 111.08 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.61 129.75 40.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.865 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.65 -23.33 36.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 55.0 112.535 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.23 118.67 37.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 119.31 -0.376 . . . . 54.43 110.874 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -67.43 150.4 48.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 62.22 108.358 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.411 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.6 t80 -115.51 -24.25 8.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.113 -0.949 . . . . 64.35 110.967 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.5 m -65.45 -43.98 88.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 64.34 111.194 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.6 -38.02 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 75.14 108.254 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.39 34.95 4.01 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.018 -0.992 . . . . 22.12 112.482 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -99.47 118.28 62.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.758 . . . . 62.12 110.887 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 90.24 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.651 2.234 . . . . 74.04 112.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.07 -63.38 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.821 -0.704 . . . . 64.3 112.54 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -96.99 -173.92 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 52.32 110.849 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.04 176.13 8.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.861 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.4 -42.87 61.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 54.13 110.88 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.68 -25.32 62.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 65.14 111.07 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -121.65 26.12 8.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 71.04 110.913 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.0 t -81.34 124.21 80.71 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 122.793 1.282 . . . . 73.24 108.34 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -12.2 32.36 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.677 2.251 . . . . 63.32 112.379 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -97.8 0.04 46.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 64.33 110.874 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 115.49 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.845 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -75.74 -73.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.23 110.809 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.04 -74.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 54.1 110.875 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -179.2 -74.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 63.2 110.875 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.54 -28.83 10.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 75.24 112.551 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -170.97 172.45 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 64.24 110.871 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.35 178.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 64.54 110.823 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.67 -66.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 71.44 110.873 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -122.9 27.94 7.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.3 110.96 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -101.14 167.92 9.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.476 . . . . 72.12 110.835 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.4 t -118.74 118.6 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 62.2 108.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.11 31.62 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.93 -1.032 . . . . 64.31 110.889 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.751 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -129.82 -35.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 74.25 110.895 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 p -131.71 14.84 4.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 34.03 108.302 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 58.95 20.88 8.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.959 -1.019 . . . . 74.22 110.91 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.14 157.75 39.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 74.42 112.488 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.0 ttm -123.5 94.08 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 63.22 110.896 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.27 -56.91 0.48 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 74.33 112.468 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -88.03 -172.93 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.757 0.313 . . . . 74.33 110.852 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.32 154.14 36.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 74.05 110.846 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.751 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.67 -42.83 75.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 64.34 111.133 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -59.68 -22.33 61.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 61.24 110.865 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -122.86 26.22 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 61.13 110.867 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.4 t -80.44 118.95 22.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 73.15 108.319 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 56.0 -177.33 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.031 -0.986 . . . . 63.45 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt 60.51 55.28 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -142.51 -68.69 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.868 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.898 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 117.044 8.271 . 0.0 '__' . 73.35 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.921 8.135 . 0.731 1a . 73.12 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.841 8.046 . 0.663 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 117.25 8.5 . 0.689 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.043 2 C1'-O4'-C4' 117.222 8.469 . 0.703 1a . 73.04 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.804 2 O4'-C4'-C3' 93.412 -8.634 . 0.639 1a . 73.42 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.886 8.095 . 0.698 1a . 65.14 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 117.003 8.226 . 0.531 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 1 O4'-C4'-C3' 90.162 -10.955 . 0.0 OUTLIER gamma 75.53 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 3 C1'-O4'-C4' 116.831 8.034 . 0.0 OUTLIER . 71.44 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 C1'-O4'-C4' 116.915 8.127 . 0.101 9a . 75.5 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 92.971 -8.949 . 0.0 OUTLIER gamma 74.41 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.843 8.048 . 0.023 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 3 O4'-C4'-C3' 93.669 -8.451 . 0.642 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 O4'-C4'-C3' 92.63 -9.193 . 0.687 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 3 O4'-C4'-C3' 92.617 -9.202 . 0.01 3g . 73.24 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.864 8.071 . 0.0 OUTLIER zeta-1 74.31 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 116.805 8.006 . 0.131 1a . 75.55 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 117.005 8.228 . 0.767 1a . 71.42 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 O4'-C4'-C3' 93.934 -8.261 . 0.638 1a . 71.54 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.868 3 O4'-C4'-C3' 93.472 -8.592 . 0.633 1a . 71.41 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.263 8.515 . 0.019 1L . 73.01 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.094 2 C1'-O4'-C4' 117.109 8.344 . 0.0 OUTLIER . 75.34 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 93.548 -8.537 . 0.0 OUTLIER . 74.51 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.033 1 O4'-C4'-C3' 90.673 -10.591 . 0.0 OUTLIER . 72.35 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 116.783 7.981 . 0.0 OUTLIER gamma 61.14 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 C1'-O4'-C4' 116.845 8.05 . 0.012 7d . 74.42 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 116.828 8.031 . 0.0 OUTLIER . 74.23 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 C1'-O4'-C4' 116.821 8.023 . 0.445 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 116.899 8.11 . 0.275 1a . 71.51 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.812 2 C1'-O4'-C4' 116.804 8.005 . 0.75 1a . 71.2 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.072 2 O4'-C4'-C3' 94.207 -8.067 . 0.453 1a . 74.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.061 2 C1'-O4'-C4' 116.803 8.003 . 0.753 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.78 7.978 . 0.832 1a . 73.51 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 3 C1'-O4'-C4' 116.817 8.019 . 0.3 1a . 75.52 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 O4'-C4'-C3' 92.374 -9.376 . 0.345 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 O4'-C4'-C3' 93.859 -8.315 . 0.019 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 3 O4'-C4'-C3' 92.397 -9.359 . 0.012 3a . 75.43 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . 0.491 " H2'" " H1'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.926 1 C1'-O4'-C4' 103.442 -6.842 OUTLIER-DELTA 0.0 OUTLIER . 74.11 . . . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 116.72 7.911 . 0.0 OUTLIER . 73.1 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . 0.491 " H1'" " H2'" ' B' ' 198' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.485 2.679 2 C1'-O4'-C4' 115.234 6.26 . 0.0 OUTLIER . 71.53 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . 0.431 " H4'" " O3'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.549 -9.251 . 0.051 1e . 74.15 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.991 8.212 . 0.566 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.834 8.037 . 0.737 1a . 73.12 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 C1'-O4'-C4' 116.898 8.109 . 0.673 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 117.184 8.426 . 0.302 1L . 74.13 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.835 3 C1'-O4'-C4' 116.798 7.998 . 0.0 OUTLIER zeta-1 74.12 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.866 2 C1'-O4'-C4' 117.242 8.491 . 0.0 OUTLIER . 74.22 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.87 3 C1'-O4'-C4' 117.137 8.375 . 0.0 OUTLIER . 75.1 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.842 8.047 . 0.45 1L . 74.33 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 C1'-O4'-C4' 117.039 8.265 . 0.226 1a . 71.23 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.797 7.996 . 0.278 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.863 8.07 . 0.104 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.799 7.999 . 0.641 1a . 73.45 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.558 7.731 . 0.137 1m . 70.1 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 C1'-O4'-C4' 116.865 8.072 . 0.01 1m . 72.12 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.126 8.362 . 0.428 1L . 73.13 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 C1'-O4'-C4' 116.725 7.916 . 0.48 1a . 74.2 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.411 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 91.676 -9.874 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.34 . . . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.363 -7.516 2 C1'-O4'-C4' 118.529 9.921 . 0.0 OUTLIER epsilon-1 75.01 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 1 O4'-C4'-C3' 89.781 -11.228 . 0.0 OUTLIER gamma 72.44 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 117.045 8.272 . 0.0 OUTLIER '7D dist 1a' 71.12 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.999 2 C1'-O4'-C4' 117.411 8.679 . 0.0 OUTLIER '7D dist 1a' 63.42 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.366 2 O4'-C4'-C3' 93.188 -8.794 . 0.275 1a . 71.32 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 2 C1'-O4'-C4' 117.576 8.863 . 0.0 OUTLIER gamma 72.52 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 92.003 -9.641 . 0.423 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 94.262 -8.027 . 0.343 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.827 8.03 . 0.0 OUTLIER . 72.52 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 116.946 8.162 . 0.591 1a . 70.54 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.822 8.024 . 0.455 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.081 2 C1'-O4'-C4' 116.809 8.01 . 0.777 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 116.78 7.978 . 0.384 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 117.182 8.425 . 0.557 1a . 72.35 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.835 2 C1'-O4'-C4' 117.173 8.414 . 0.796 1a . 73.43 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 116.861 8.067 . 0.796 1a . 71.52 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.528 -0.229 . . . . 45.03 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -69.06 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.82 0.343 . . . . 73.0 110.881 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.35 13.52 8.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 75.43 111.086 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -65.37 89.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 70.24 110.902 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.32 -9.95 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 44.32 112.493 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.22 118.78 33.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 119.36 -0.352 . . . . 72.04 110.928 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.7 t -60.57 142.33 55.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 64.4 108.289 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -110.3 38.87 2.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.002 -0.999 . . . . 71.34 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.6 m -139.93 -48.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 72.14 111.159 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.29 -37.57 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 74.44 108.263 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.27 30.16 4.25 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.002 -0.999 . . . . 62.12 112.453 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -100.09 118.36 61.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.683 0.754 . . . . 70.42 110.885 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 98.38 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 72.32 112.339 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.7 -67.18 0.25 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 40.12 112.509 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -92.38 171.17 9.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 71.3 110.905 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.39 173.33 6.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 73.53 110.989 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -50.18 -40.59 47.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 65.33 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.69 70.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 64.14 111.116 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -109.24 17.32 21.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 73.53 110.969 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -74.08 124.36 89.99 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 122.788 1.28 . . . . 75.11 108.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -12.01 32.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 2.285 . . . . 73.0 112.342 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -98.27 0.5 45.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 62.31 110.852 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.39 -179.63 4.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 34.53 110.885 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -114.07 -169.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.847 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -115.46 -170.73 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 74.15 110.946 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.81 -169.81 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.23 110.927 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.42 -156.85 28.83 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.745 -0.741 . . . . 53.54 112.496 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -179.27 125.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 74.05 110.851 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.32 -74.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 42.42 110.863 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.91 139.33 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 72.41 110.851 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 63.98 107.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.864 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -92.88 169.16 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 72.02 110.826 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -120.73 117.89 28.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 51.44 108.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -94.69 31.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.993 -1.003 . . . . 75.15 110.873 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.74 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -129.45 -35.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.889 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.2 p -131.85 15.06 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 73.54 108.371 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.13 19.22 8.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.936 -1.029 . . . . 72.23 110.937 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.44 162.59 28.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 63.41 112.483 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -132.21 90.9 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 73.12 110.837 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.95 -47.01 0.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 62.51 112.507 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -97.77 -173.85 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.826 0.346 . . . . 63.45 110.871 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -116.53 150.91 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 63.23 110.886 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.74 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -55.46 -40.99 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 60.43 111.079 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -60.64 -24.28 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 74.12 110.897 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -117.26 22.77 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 73.12 110.98 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.9 t -81.87 102.68 11.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 75.03 108.307 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 53.78 -173.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.039 -0.982 . . . . 64.23 110.869 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.27 168.94 18.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 71.25 110.891 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.31 106.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 71.22 110.794 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.5 t0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 63.43 110.844 179.931 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 117.082 8.313 . 0.0 '__' . 75.34 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.903 8.115 . 0.806 1a . 75.22 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.778 7.975 . 0.475 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 117.233 8.481 . 0.654 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 117.226 8.473 . 0.603 1a . 75.35 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.828 2 C1'-O4'-C4' 116.813 8.014 . 0.8 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 C1'-O4'-C4' 116.765 7.961 . 0.806 1a . 73.54 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.101 8.334 . 0.243 1a . 74.53 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . 0.408 " H2'" " H4'" ' B' ' 169' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 116.955 8.173 . 0.0 OUTLIER gamma 74.51 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . 0.408 " H4'" " H2'" ' B' ' 168' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.935 3 O4'-C4'-C3' 92.467 -9.309 . 0.0 OUTLIER zeta-1 74.53 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.179 8.421 . 0.01 9a . 74.23 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 O4'-C4'-C3' 92.278 -9.444 . 0.0 OUTLIER '7D dist 7a' 74.3 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.796 7.995 . 0.515 1a . 71.44 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 92.962 -8.956 . 0.438 1a . 73.44 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 91.974 -9.661 . 0.836 1a . 71.22 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 O4'-C4'-C3' 91.553 -9.962 . 0.0 OUTLIER gamma 75.34 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 O4'-C4'-C3' 94.016 -8.203 . 0.0 OUTLIER . 74.34 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.852 2 C1'-O4'-C4' 116.748 7.943 . 0.529 1a . 65.23 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 O4'-C4'-C3' 93.513 -8.562 . 0.726 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.086 2 O4'-C4'-C3' 93.36 -8.671 . 0.594 1a . 74.03 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 3 O4'-C4'-C3' 93.464 -8.597 . 0.611 1a . 73.32 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 117.278 8.531 . 0.013 1L . 75.13 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 O4'-C4'-C3' 91.262 -10.17 . 0.0 OUTLIER . 75.43 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 90.111 -10.992 . 0.076 1f . 64.05 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 1 O4'-C4'-C3' 91.071 -10.306 . 0.0 OUTLIER . 75.1 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.867 2 C1'-O4'-C4' 116.817 8.019 . 0.0 OUTLIER . 71.31 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.866 3 C1'-O4'-C4' 116.864 8.071 . 0.0 OUTLIER . 74.2 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 3 C1'-O4'-C4' 116.792 7.991 . 0.0 OUTLIER . 74.3 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.867 8.074 . 0.376 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 116.893 8.103 . 0.304 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 116.824 8.027 . 0.549 1a . 65.24 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 94.083 -8.155 . 0.781 1a . 75.24 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.836 8.04 . 0.826 1a . 71.53 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 116.853 8.059 . 0.644 1a . 65.41 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.888 8.097 . 0.678 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 93.933 -8.262 . 0.546 1a . 75.45 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 116.745 7.939 . 0.662 1a . 74.13 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 O4'-C4'-C3' 92.443 -9.326 . 0.0 OUTLIER gamma 71.3 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . 0.47 " H2'" " H1'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.914 1 C1'-O4'-C4' 103.659 -6.601 OUTLIER-DELTA 0.0 OUTLIER . 74.31 . . . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 116.542 7.713 . 0.0 OUTLIER . 73.15 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . 0.47 " H1'" " H2'" ' B' ' 198' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.486 2.727 2 C1'-O4'-C4' 115.271 6.301 . 0.0 OUTLIER . 74.13 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . 0.431 " H4'" " O3'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 O4'-C4'-C3' 92.526 -9.267 . 0.051 1e . 71.54 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 93.763 -8.383 . 0.628 1a . 70.43 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.846 8.051 . 0.376 1a . 73.23 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 C1'-O4'-C4' 116.886 8.095 . 0.737 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.202 8.446 . 0.237 1L . 73.1 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 3 C1'-O4'-C4' 116.814 8.015 . 0.0 OUTLIER zeta-1 74.24 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 117.285 8.539 . 0.0 OUTLIER . 73.31 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 3 C1'-O4'-C4' 117.182 8.424 . 0.0 OUTLIER . 75.1 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 116.862 8.069 . 0.445 1L . 74.52 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 117.086 8.318 . 0.47 1a . 75.55 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 C1'-O4'-C4' 116.811 8.013 . 0.229 1a . 73.21 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 116.834 8.038 . 0.161 1a . 71.33 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.84 8.044 . 0.166 1a . 71.12 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.864 2 C1'-O4'-C4' 116.668 7.853 . 0.06 1m . 75.21 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.763 7.959 . 0.474 1a . 73.45 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.228 8.475 . 0.298 1L . 74.25 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 94.082 -8.156 . 0.793 1a . 73.41 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.404 " O2'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 92.268 -9.452 OUTLIER-EPSILON 0.0 OUTLIER gamma 73.34 . . . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.404 ' OP1' " O2'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.36 -7.723 2 C1'-O4'-C4' 118.59 9.989 . 0.0 OUTLIER epsilon-1 75.1 . . . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 1 O4'-C4'-C3' 89.982 -11.085 . 0.0 OUTLIER gamma 74.41 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 93.214 -8.776 . 0.0 OUTLIER gamma 73.13 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 2 O4'-C4'-C3' 94.167 -8.095 . 0.0 OUTLIER gamma 74.24 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 1 O4'-C4'-C3' 91.546 -9.967 . 0.227 1a . 63.22 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.867 3 O4'-C4'-C3' 92.418 -9.344 . 0.0 OUTLIER '7D dist 5n wannabe' 61.33 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.043 8.27 . 0.01 1L . 72.42 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 93.482 -8.584 . 0.547 1a . 63.35 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 93.941 -8.256 . 0.0 OUTLIER . 74.11 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 117.066 8.296 . 0.341 1a . 74.54 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 116.824 8.027 . 0.605 1a . 72.41 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.828 8.031 . 0.15 1a . 73.52 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.89 8.1 . 0.01 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.259 8.51 . 0.598 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 117.008 8.231 . 0.819 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.789 7.988 . 0.669 1a . 74.11 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.481 -0.247 . . . . 45.03 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.53 153.04 18.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.359 . . . . 73.22 110.824 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' HB3' ' H21' ' B' ' 218' ' ' ' G' . . . -162.4 25.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 52.33 111.077 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -63.48 88.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 71.14 110.866 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.69 -14.35 0.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 13.51 112.49 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.95 121.74 43.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 119.318 -0.373 . . . . 60.24 110.895 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -64.24 140.77 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 74.12 108.242 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -108.1 39.66 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.997 -1.001 . . . . 75.32 110.919 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.1 m -140.43 -48.38 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 72.32 111.122 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -110.54 -37.35 5.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 44.41 108.322 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.01 30.03 4.37 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 114.945 -1.025 . . . . 63.04 112.493 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -99.39 118.6 62.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 73.31 110.885 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 96.72 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.725 2.283 . . . . 71.21 112.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.38 -68.82 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 54.11 112.528 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -90.48 171.46 9.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 72.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -114.03 173.96 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.922 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.87 -40.78 63.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 65.1 110.92 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.457 ' HB2' " O2'" ' B' ' 216' ' ' ' C' . . . -61.78 -18.13 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.01 111.061 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.27 16.97 9.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 72.05 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.8 t -71.23 124.27 90.71 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.832 1.301 . . . . 51.43 108.266 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -12.96 33.89 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.684 2.256 . . . . 71.34 112.368 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -97.27 1.17 49.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 75.02 110.953 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.1 23.95 5.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.85 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -96.59 172.81 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 74.53 110.858 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.99 169.38 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 75.2 110.877 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 m -91.65 -68.84 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 73.13 110.866 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.98 151.81 14.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.68 -0.772 . . . . 71.35 112.43 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -146.71 42.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 73.23 110.874 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.0 m -82.59 -171.2 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 63.44 110.88 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -124.87 165.64 17.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 51.31 110.865 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 61.28 26.3 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 74.32 110.859 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -102.34 172.84 6.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.902 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.4 t -123.6 117.19 24.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 62.45 108.284 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.96 28.77 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.02 -0.991 . . . . 65.34 110.854 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.816 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.91 -36.09 2.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 64.2 110.9 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -130.06 14.35 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 63.33 108.333 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 59.61 20.78 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.969 -1.014 . . . . 75.51 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.96 158.11 48.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.776 -0.726 . . . . 74.44 112.455 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.0 ttm -124.63 97.73 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.839 0.352 . . . . 74.31 110.908 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.89 -57.69 0.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.69 -0.767 . . . . 62.02 112.464 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -86.55 -173.4 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 73.34 110.882 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.56 151.27 38.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.11 110.935 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.816 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.24 -37.71 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 71.32 111.042 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -22.22 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.875 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.64 16.04 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 70.12 110.886 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.1 t -87.88 139.29 30.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 73.32 108.343 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 52.0 85.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.028 -0.987 . . . . 71.3 110.905 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -154.27 -62.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 63.14 110.859 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.37 44.01 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.86 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.935 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.211 8.457 . 0.0 '__' . 74.41 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.971 8.19 . 0.637 1a . 75.31 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.808 8.009 . 0.576 1a . 72.31 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.149 8.388 . 0.568 1a . 63.44 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 117.04 8.267 . 0.62 1a . 74.3 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 93.775 -8.375 . 0.855 1a . 73.15 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.063 8.292 . 0.767 1a . 70.24 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 94.105 -8.139 . 0.693 1a . 73.11 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.85 2 O4'-C4'-C3' 92.087 -9.581 . 0.0 OUTLIER . 72.04 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.346 7.495 . 0.0 OUTLIER . 74.33 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 O4'-C4'-C3' 92.942 -8.97 . 0.194 9a . 74.42 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 117.252 8.502 . 0.0 OUTLIER . 75.11 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.838 2 C1'-O4'-C4' 116.836 8.04 . 0.531 1a . 73.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.004 8.227 . 0.514 1a . 70.23 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 O4'-C4'-C3' 93.527 -8.552 . 0.632 1a . 72.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 93.378 -8.658 . 0.0 OUTLIER . 71.44 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.107 8.341 . 0.0 OUTLIER . 64.4 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 116.841 8.046 . 0.569 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 O4'-C4'-C3' 94.071 -8.164 . 0.686 1a . 74.15 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 117.229 8.477 . 0.533 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 93.485 -8.582 . 0.665 1a . 74.11 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 117.264 8.516 . 0.034 1L . 75.1 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.394 1 C1'-O4'-C4' 102.491 -7.899 OUTLIER-EPSILON 0.0 OUTLIER . 73.4 . . . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 1 O4'-C4'-C3' 90.544 -10.683 . 0.0 OUTLIER epsilon-1 74.44 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 1 O4'-C4'-C3' 91.084 -10.297 . 0.116 1f . 72.31 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.839 8.043 . 0.0 OUTLIER gamma 75.14 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 116.874 8.082 . 0.0 OUTLIER . 74.23 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 3 C1'-O4'-C4' 116.837 8.041 . 0.0 OUTLIER . 62.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.815 8.017 . 0.399 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 117.076 8.307 . 0.273 1a . 74.25 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 116.885 8.095 . 0.688 1a . 72.44 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.818 2 O4'-C4'-C3' 93.984 -8.226 . 0.709 1a . 73.33 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.763 7.959 . 0.829 1a . 73.15 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 C1'-O4'-C4' 116.788 7.987 . 0.841 1a . 73.15 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 117.243 8.493 . 0.598 1a . 72.34 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 C1'-O4'-C4' 117.119 8.355 . 0.475 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.844 8.049 . 0.587 1a . 74.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 O4'-C4'-C3' 92.09 -9.579 . 0.0 OUTLIER . 73.31 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 1 O4'-C4'-C3' 90.883 -10.44 . 0.0 OUTLIER gamma 73.33 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 116.908 8.12 . 0.0 OUTLIER . 74.15 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 1 C1'-O4'-C4' 115.261 6.29 . 0.0 OUTLIER gamma 74.02 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 3 O4'-C4'-C3' 90.901 -10.428 . 0.123 1e . 74.13 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 93.253 -8.748 . 0.301 1a . 75.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 C1'-O4'-C4' 117.105 8.339 . 0.286 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.876 8.084 . 0.697 1a . 72.33 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 117.163 8.404 . 0.304 1L . 73.5 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 3 C1'-O4'-C4' 116.882 8.091 . 0.0 OUTLIER zeta-1 75.41 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.057 2 C1'-O4'-C4' 117.255 8.506 . 0.0 OUTLIER '7D dist &a' 64.44 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 C1'-O4'-C4' 117.152 8.391 . 0.0 OUTLIER . 74.44 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 116.856 8.063 . 0.445 1L . 71.01 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 117.151 8.39 . 0.462 1a . 63.41 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.736 7.929 . 0.237 1a . 74.1 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.793 7.992 . 0.36 1a . 73.3 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 116.774 7.971 . 0.251 1L . 75.32 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 116.841 8.045 . 0.0 OUTLIER zeta-1 74.42 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 116.789 7.987 . 0.545 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.457 " O2'" ' HB2' ' A' ' 32' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 117.176 8.418 . 0.435 1L . 73.12 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.788 7.987 . 0.504 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.438 ' H21' ' HB3' ' A' ' 17' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 92.359 -9.387 OUTLIER-EPSILON 0.0 OUTLIER gamma 75.54 . . . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.371 -6.793 2 C1'-O4'-C4' 118.398 9.775 . 0.0 OUTLIER epsilon-1 75.14 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 1 O4'-C4'-C3' 89.827 -11.195 . 0.0 OUTLIER gamma 63.33 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 117.115 8.35 . 0.0 OUTLIER '7D dist 1a' 75.12 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 C1'-O4'-C4' 117.377 8.642 . 0.0 OUTLIER '7D dist 1a' 74.54 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.195 2 O4'-C4'-C3' 92.821 -9.056 . 0.275 1a . 73.24 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 2 C1'-O4'-C4' 117.443 8.714 . 0.0 OUTLIER gamma 74.41 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.239 8.488 . 0.162 1a . 73.22 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 116.829 8.032 . 0.557 1a . 73.4 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 C1'-O4'-C4' 116.816 8.018 . 0.012 7a . 73.03 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.886 8.096 . 0.774 1a . 75.15 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.852 8.058 . 0.746 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.815 8.017 . 0.345 1a . 73.52 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.875 8.083 . 0.731 1a . 65.25 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.001 8.223 . 0.74 1a . 75.31 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 117.124 8.36 . 0.673 1a . 70.43 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.749 7.944 . 0.529 1a . 74.11 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 112.562 -0.215 . . . . 45.03 112.562 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 63.1 103.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.862 0.363 . . . . 72.54 110.87 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' HB3' ' H21' ' B' ' 218' ' ' ' G' . . . -94.7 22.53 6.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 64.01 111.048 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 135.05 26.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 72.53 110.917 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.3 -22.22 41.97 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 70.34 112.512 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.04 123.4 48.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 119.251 -0.404 . . . . 52.52 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.21 148.32 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.614 1.196 . . . . 62.45 108.335 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.418 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 8.3 t80 -114.35 -23.42 9.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.002 -0.999 . . . . 65.31 110.914 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.7 m -66.74 -43.14 84.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 63.31 111.199 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -111.77 -36.94 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 72.32 108.288 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.59 35.29 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.022 -0.99 . . . . 70.51 112.471 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.2 m -106.0 115.4 61.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.639 0.733 . . . . 72.13 110.787 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 96.42 0.6 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.694 2.263 . . . . 54.24 112.306 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.2 -26.06 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.743 . . . . 15.42 112.493 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -140.72 -175.04 4.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 70.02 110.828 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -129.46 178.21 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.959 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.4 -43.5 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 74.33 110.892 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.63 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 45.52 111.076 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -122.77 27.26 7.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 51.43 110.88 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.0 t -81.51 124.24 80.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.857 1.313 . . . . 62.24 108.285 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -12.41 32.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.799 2.333 . . . . 72.33 112.329 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -98.81 0.25 43.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 72.32 110.871 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -83.08 107.5 15.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.925 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -161.3 44.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.874 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.25 122.07 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.921 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.75 166.58 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 63.12 110.863 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.74 129.25 1.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 63.31 112.466 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -174.29 139.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 73.34 110.954 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m -78.14 141.01 39.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 74.12 110.901 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -178.96 -170.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 73.11 110.947 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -57.1 -24.24 52.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 44.15 110.913 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 -94.91 170.04 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 64.42 110.882 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.9 t -121.0 117.42 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 74.41 108.269 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -94.72 29.98 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.942 -1.027 . . . . 74.42 110.971 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.781 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -127.37 -35.51 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 50.25 110.848 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.3 p -130.9 14.6 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 64.42 108.301 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 59.78 20.19 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.03 -0.986 . . . . 54.51 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.45 161.37 38.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 64.44 112.506 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -128.56 95.32 4.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 71.22 110.97 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.52 -56.76 0.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 73.1 112.447 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -86.84 -173.51 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 74.22 110.872 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -117.88 150.61 38.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 71.25 110.861 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.781 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.24 -37.33 72.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 72.13 111.127 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -62.3 -22.23 65.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 70.34 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.02 16.48 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 65.43 110.916 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.7 t -89.24 138.86 31.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 73.52 108.288 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 58.35 57.49 3.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.952 -1.022 . . . . 75.13 110.869 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.5 -62.49 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 71.02 110.857 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -143.19 139.45 30.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.889 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 71.21 110.855 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 93.66 -8.457 . 0.0 '__' . 73.14 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.982 8.202 . 0.476 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 C1'-O4'-C4' 116.785 7.984 . 0.764 1a . 71.43 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.042 8.269 . 0.685 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 94.011 -8.206 . 0.888 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 94.049 -8.179 . 0.385 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 117.149 8.388 . 0.7 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 116.852 8.058 . 0.065 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 90.75 -10.536 . 0.0 OUTLIER . 75.42 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 O4'-C4'-C3' 92.44 -9.329 . 0.0 OUTLIER . 74.31 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 O4'-C4'-C3' 91.236 -10.189 . 0.278 9a . 73.44 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 93.968 -8.237 . 0.57 1a . 65.53 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 C1'-O4'-C4' 116.735 7.928 . 0.527 1a . 73.55 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 C1'-O4'-C4' 116.968 8.186 . 0.835 1a . 72.32 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 93.318 -8.702 . 0.541 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 O4'-C4'-C3' 92.185 -9.51 . 0.297 3d . 71.23 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.954 8.171 . 0.0 OUTLIER . 74.52 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 116.813 8.015 . 0.484 1a . 73.34 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 O4'-C4'-C3' 93.526 -8.553 . 0.765 1a . 72.05 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 117.119 8.355 . 0.453 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 O4'-C4'-C3' 93.288 -8.723 . 0.652 1a . 75.14 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 117.194 8.437 . 0.061 1L . 74.04 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 O4'-C4'-C3' 91.537 -9.973 . 0.0 OUTLIER . 75.51 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 93.351 -8.678 . 0.0 OUTLIER . 73.21 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 1 O4'-C4'-C3' 90.575 -10.661 . 0.0 OUTLIER . 74.32 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.047 2 C1'-O4'-C4' 116.799 7.999 . 0.045 1f . 74.21 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 3 C1'-O4'-C4' 116.804 8.004 . 0.0 OUTLIER . 73.5 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.857 8.063 . 0.0 OUTLIER . 74.13 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.868 2 C1'-O4'-C4' 116.817 8.019 . 0.518 1a . 73.54 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 117.14 8.378 . 0.071 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.788 7.986 . 0.78 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 94.176 -8.089 . 0.785 1a . 73.45 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.862 8.069 . 0.686 1a . 75.1 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.839 8.043 . 0.447 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 C1'-O4'-C4' 117.183 8.426 . 0.58 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 94.005 -8.211 . 0.46 1a . 73.03 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 116.788 7.986 . 0.0 OUTLIER '7D dist 1a' 75.42 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 91.761 -9.814 . 0.0 OUTLIER gamma 75.42 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . 0.479 " H2'" " H1'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 91.258 -10.173 . 0.0 OUTLIER . 75.25 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.852 8.058 . 0.052 1g . 75.1 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . 0.479 " H1'" " H2'" ' B' ' 198' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.487 2.831 2 C1'-O4'-C4' 114.463 5.404 . 0.0 OUTLIER . 72.54 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . 0.406 " H4'" " O3'" ' B' ' 200' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 93.28 -8.729 . 0.01 1e . 72.32 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 O4'-C4'-C3' 93.792 -8.363 . 0.644 1a . 75.31 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 C1'-O4'-C4' 116.884 8.093 . 0.353 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.916 8.129 . 0.683 1a . 75.13 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.838 2 C1'-O4'-C4' 117.183 8.426 . 0.284 1L . 72.32 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 3 C1'-O4'-C4' 116.776 7.973 . 0.0 OUTLIER zeta-1 73.2 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 C1'-O4'-C4' 117.245 8.495 . 0.0 OUTLIER '7D dist &a' 64.42 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.054 3 C1'-O4'-C4' 117.176 8.418 . 0.0 OUTLIER . 74.41 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.798 7.998 . 0.451 1L . 74.4 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.114 8.349 . 0.498 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 116.79 7.989 . 0.229 1a . 71.43 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.837 8.041 . 0.07 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.788 7.987 . 0.467 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.846 8.051 . 0.0 OUTLIER . 74.41 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.59 7.766 . 0.424 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 O4'-C4'-C3' 92.952 -8.963 . 0.619 1L . 75.15 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.796 7.995 . 0.795 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.48 ' H21' ' HB3' ' A' ' 17' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 91.819 -9.772 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.1 . . . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.418 ' O2 ' " H2'" ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.358 -7.951 2 C1'-O4'-C4' 118.603 10.004 . 0.0 OUTLIER epsilon-1 71.44 . . . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 1 O4'-C4'-C3' 89.907 -11.138 . 0.0 OUTLIER gamma 74.14 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 93.711 -8.421 . 0.0 OUTLIER gamma 74.44 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 2 O4'-C4'-C3' 94.032 -8.191 . 0.068 1a . 72.22 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.337 1 O4'-C4'-C3' 91.629 -9.908 . 0.229 1a . 72.11 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 3 O4'-C4'-C3' 92.697 -9.145 . 0.01 5n . 74.42 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 117.287 8.541 . 0.01 1L . 72.45 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 C1'-O4'-C4' 116.83 8.034 . 0.484 1a . 73.41 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.841 8.045 . 0.0 OUTLIER . 73.23 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.226 8.473 . 0.665 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.825 8.028 . 0.388 1a . 74.3 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.8 7.999 . 0.651 1a . 73.13 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 116.814 8.016 . 0.651 1a . 74.33 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.944 8.16 . 0.757 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.972 8.192 . 0.799 1a . 75.45 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.786 7.985 . 0.723 1a . 73.04 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.53 -0.228 . . . . 45.03 112.53 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -52.05 -55.66 19.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 74.22 110.85 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.78 15.56 9.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 62.01 111.106 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.48 130.33 42.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.843 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.43 -22.69 39.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 63.21 112.478 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.06 119.8 39.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 119.277 -0.392 . . . . 65.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.16 150.59 48.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 72.11 108.243 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.5 t80 -115.92 -23.79 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.982 -1.008 . . . . 74.53 110.916 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.4 m -65.99 -43.73 86.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 60.54 111.1 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.51 -38.01 5.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 64.22 108.35 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 34.98 3.99 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 114.921 -1.036 . . . . 61.02 112.516 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -99.92 118.32 61.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 63.43 110.875 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 91.3 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.746 2.297 . . . . 70.05 112.303 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.04 -63.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.663 -0.779 . . . . 64.14 112.41 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -96.69 -174.61 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 75.43 110.851 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.42 176.2 8.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.919 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -51.73 -42.68 62.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 62.33 110.902 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.97 -23.53 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -123.37 25.53 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 54.44 110.958 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.5 t -80.61 124.22 82.14 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 122.754 1.264 . . . . 61.33 108.319 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -12.01 32.03 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.675 2.25 . . . . 72.04 112.314 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 0.36 44.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.55 110.949 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -86.1 -26.11 25.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.917 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -166.42 140.61 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.854 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -120.08 -173.1 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 71.45 110.895 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.3 t -178.65 161.1 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 72.5 110.828 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.63 -132.21 5.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 62.24 112.544 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -128.7 134.2 48.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.362 . . . . 74.12 110.832 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -81.1 -172.17 3.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.885 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -111.07 -43.86 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 72.52 110.879 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -114.11 81.95 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.859 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -106.07 173.92 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 71.03 110.874 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t -123.67 117.18 24.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 73.04 108.3 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.98 29.17 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.98 -1.009 . . . . 64.54 110.925 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.832 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -126.4 -35.66 2.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 63.11 110.966 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.7 p -130.51 14.32 5.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 54.54 108.257 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 m120 59.16 21.12 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.027 -0.988 . . . . 70.41 110.911 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.93 159.14 49.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.761 . . . . 41.42 112.509 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.6 ttt -125.77 100.8 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 65.1 110.907 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.31 -53.59 0.58 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.683 -0.77 . . . . 41.33 112.441 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -91.51 -173.52 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 62.3 110.881 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.45 151.47 37.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 62.11 110.877 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.832 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.27 -37.35 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.061 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -22.47 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.869 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -116.1 15.97 16.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.879 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 42.2 t -88.68 139.98 29.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 64.3 108.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 53.66 55.63 8.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.051 -0.977 . . . . 73.43 110.875 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.99 -49.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.1 110.908 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 59.04 80.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 53.02 110.879 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 75.13 110.906 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 C1'-O4'-C4' 116.82 8.023 . 0.0 '__' . 73.42 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.119 8.355 . 0.554 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.866 2 C1'-O4'-C4' 116.817 8.019 . 0.348 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.841 8.046 . 0.776 1a . 71.53 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 93.378 -8.658 . 0.724 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 92.95 -8.964 . 0.718 1a . 72.23 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 117.225 8.472 . 0.253 1a . 73.24 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.052 2 C1'-O4'-C4' 116.95 8.167 . 0.671 1a . 72.51 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 91.675 -9.875 . 0.0 OUTLIER . 72.43 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 1 O4'-C4'-C3' 90.776 -10.517 . 0.0 OUTLIER . 70.41 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 91.974 -9.661 . 0.021 9a . 74.24 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 O4'-C4'-C3' 92.582 -9.227 . 0.12 1L . 74.13 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.058 2 C1'-O4'-C4' 116.727 7.919 . 0.305 1a . 74.24 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 117.039 8.266 . 0.799 1a . 73.43 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 93.489 -8.58 . 0.499 1a . 71.2 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.066 2 O4'-C4'-C3' 94.039 -8.186 . 0.0 OUTLIER gamma 74.21 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 93.883 -8.298 . 0.0 OUTLIER . 75.33 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 C1'-O4'-C4' 116.874 8.083 . 0.683 1a . 75.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 92.785 -9.082 . 0.791 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 O4'-C4'-C3' 92.621 -9.199 . 0.764 1a . 74.41 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 93.039 -8.901 . 0.615 1a . 64.43 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 C1'-O4'-C4' 117.21 8.455 . 0.018 1L . 75.13 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 1 O4'-C4'-C3' 91.191 -10.22 . 0.0 OUTLIER '7D dist 1c' 70.31 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.032 1 O4'-C4'-C3' 90.969 -10.38 . 0.0 OUTLIER . 73.5 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 1 O4'-C4'-C3' 90.698 -10.573 . 0.0 OUTLIER . 73.22 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.748 7.942 . 0.0 OUTLIER . 65.13 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.777 7.975 . 0.0 OUTLIER gamma 74.25 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.78 7.978 . 0.0 OUTLIER . 72.51 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 C1'-O4'-C4' 116.749 7.944 . 0.496 1a . 75.32 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.812 2 C1'-O4'-C4' 117.187 8.43 . 0.103 1a . 73.45 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.856 2 C1'-O4'-C4' 116.801 8.001 . 0.809 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.97 8.188 . 0.861 1a . 73.45 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.788 7.986 . 0.634 1a . 73.2 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.079 2 C1'-O4'-C4' 116.795 7.994 . 0.694 1a . 72.54 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 C1'-O4'-C4' 116.955 8.172 . 0.569 1a . 72.45 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 93.456 -8.603 . 0.677 1a . 73.32 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.86 8.067 . 0.586 1a . 72.52 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 3 O4'-C4'-C3' 91.802 -9.784 . 0.0 OUTLIER alpha 74.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 1 O4'-C4'-C3' 90.922 -10.413 . 0.0 OUTLIER . 72.13 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 3 C1'-O4'-C4' 116.925 8.138 . 0.0 OUTLIER . 74.24 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.197 8.441 . 0.0 OUTLIER '7D dist 5d' 74.23 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 90.844 -10.469 . 0.0 OUTLIER . 72.22 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 92.246 -9.467 . 0.65 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 94.136 -8.117 . 0.214 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.883 8.092 . 0.568 1a . 74.04 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.815 2 C1'-O4'-C4' 117.286 8.54 . 0.156 1L . 74.54 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.829 8.032 . 0.0 OUTLIER zeta-1 75.03 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 117.281 8.534 . 0.0 OUTLIER . 74.31 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.864 3 C1'-O4'-C4' 116.924 8.138 . 0.0 OUTLIER . 75.21 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 116.849 8.054 . 0.46 1L . 73.41 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 O4'-C4'-C3' 94.162 -8.099 . 0.491 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.813 8.014 . 0.798 1a . 74.33 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 116.806 8.007 . 0.046 1a . 74.11 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.844 8.049 . 0.612 1a . 75.13 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.804 8.005 . 0.0 OUTLIER zeta-1 75.52 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 O4'-C4'-C3' 94.075 -8.161 . 0.529 1a . 73.3 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 117.185 8.428 . 0.177 1L . 72.43 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 C1'-O4'-C4' 117.269 8.521 . 0.0 OUTLIER gamma 74.44 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.424 " O2'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.197 2 O4'-C4'-C3' 91.994 -9.647 OUTLIER-EPSILON 0.0 OUTLIER gamma 63.3 . . . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.424 ' OP1' " O2'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.39 -5.281 2 C1'-O4'-C4' 118.051 9.39 . 0.0 OUTLIER epsilon-1 74.41 . . . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 1 O4'-C4'-C3' 91.227 -10.195 . 0.0 OUTLIER gamma 75.23 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.568 7.742 . 0.087 1a . 72.41 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.246 8.496 . 0.232 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . 0.58 " O2'" " O5'" ' B' ' 224' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.458 2 C1'-O4'-C4' 117.798 9.109 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 74.33 . . . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . 0.58 " O5'" " O2'" ' B' ' 223' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.962 2 O4'-C4'-C3' 91.688 -9.865 . 0.0 OUTLIER epsilon-1 72.42 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.303 8.559 . 0.023 1L . 75.22 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.728 7.92 . 0.226 1a . 73.43 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.794 7.993 . 0.044 1m . 73.05 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.982 8.203 . 0.641 1a . 75.22 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 C1'-O4'-C4' 116.822 8.024 . 0.79 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.839 8.043 . 0.773 1a . 75.24 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.781 7.979 . 0.838 1a . 75.51 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 94.067 -8.167 . 0.844 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.175 8.416 . 0.753 1a . 74.23 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 C1'-O4'-C4' 116.811 8.012 . 0.778 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.498 -0.241 . . . . 65.34 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.15 141.44 28.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 73.33 110.823 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.59 1.72 5.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 73.21 111.106 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.29 126.24 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 65.54 110.846 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.33 -31.99 5.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.658 -0.782 . . . . 60.12 112.47 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.41 123.86 51.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 119.291 -0.385 . . . . 45.35 110.975 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -70.96 150.57 45.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 63.4 108.275 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.44 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 3.1 t80 -116.27 -24.36 7.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.011 -0.995 . . . . 72.21 110.904 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.6 m -64.91 -43.0 94.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 72.1 111.164 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.41 -38.33 4.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 61.33 108.32 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.17 34.43 3.96 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 114.988 -1.006 . . . . 71.43 112.473 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -100.44 119.75 58.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 53.11 110.947 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 96.23 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.272 . . . . 51.34 112.295 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.51 -65.58 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 63.33 112.464 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -94.85 -172.99 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.705 0.288 . . . . 75.02 110.916 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.41 178.07 7.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 64.21 110.91 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -49.88 -43.22 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.915 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.67 64.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 42.23 111.091 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -118.16 28.42 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.934 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 t -84.36 124.23 74.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.801 1.286 . . . . 72.13 108.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -12.54 33.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 73.34 112.309 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -98.24 0.66 46.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.947 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 168.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 65.13 110.895 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -170.55 165.38 8.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 62.14 110.859 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.91 -170.14 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 72.34 110.91 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.46 -74.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 75.25 110.955 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.0 -164.69 22.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 73.44 112.479 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -141.97 -49.49 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 74.33 110.903 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.21 105.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 72.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.84 164.53 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 64.44 110.867 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -55.07 -28.13 50.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 45.54 110.824 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -100.43 168.27 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.35 110.814 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -118.66 118.36 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 63.33 108.223 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.19 31.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.943 -1.026 . . . . 72.43 110.888 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.763 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -128.99 -35.33 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 74.24 110.915 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.0 p -131.36 14.66 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 64.41 108.295 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.05 21.0 8.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.018 -0.992 . . . . 70.15 110.856 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.19 159.17 41.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.728 . . . . 73.44 112.493 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.9 tpp -124.34 95.86 4.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 73.22 110.96 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.09 -58.42 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 71.23 112.486 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -86.41 -173.0 4.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 54.22 110.848 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -121.09 153.26 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 63.21 110.873 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.763 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -54.6 -44.53 73.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 63.35 111.145 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -23.79 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.88 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.567 ' NE2' HH12 ' A' ' 61' ' ' ARG . 0.1 OUTLIER -116.05 19.24 15.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 72.15 110.919 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.7 t -86.91 125.84 34.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 71.4 108.297 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.567 HH12 ' NE2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -87.49 139.08 30.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.05 -0.977 . . . . 63.44 110.808 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -71.96 178.85 3.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.86 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -77.71 86.01 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.855 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.869 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 93.82 -8.343 . 0.0 '__' . 72.5 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 93.793 -8.362 . 0.671 1a . 75.03 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 116.746 7.94 . 0.719 1a . 74.13 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 O4'-C4'-C3' 93.873 -8.305 . 0.794 1a . 73.42 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.953 8.17 . 0.614 1a . 64.2 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 116.87 8.077 . 0.375 1a . 73.42 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 117.232 8.48 . 0.268 1L . 74.04 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . 0.414 " O3'" HD21 ' A' ' 49' ' ' LEU . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 117.018 8.243 . 0.231 1L . 75.21 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 0 C1'-O4'-C4' 113.117 3.908 . 0.0 OUTLIER '7D dist 1f' 73.42 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 92.738 -9.116 . 0.0 OUTLIER zeta-1 74.12 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 117.11 8.344 . 0.17 3a . 74.41 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 93.34 -8.686 . 0.205 1m . 75.14 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.779 7.977 . 0.313 1a . 72.24 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.959 8.176 . 0.568 1a . 73.42 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.068 3 O4'-C4'-C3' 93.483 -8.584 . 0.623 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 91.107 -10.281 . 0.0 OUTLIER . 72.43 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 117.006 8.229 . 0.0 OUTLIER . 74.45 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 3 C1'-O4'-C4' 116.856 8.062 . 0.458 1a . 71.14 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 94.005 -8.211 . 0.503 1a . 74.43 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 117.159 8.399 . 0.372 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.318 -8.701 . 0.618 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.261 8.513 . 0.01 1L . 73.54 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.857 2 O4'-C4'-C3' 91.878 -9.73 . 0.0 OUTLIER . 72.21 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 C1'-O4'-C4' 117.148 8.386 . 0.0 OUTLIER . 74.54 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 1 C1'-O4'-C4' 104.391 -5.788 OUTLIER-DELTA 0.0 OUTLIER . 74.51 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 3 C1'-O4'-C4' 116.793 7.992 . 0.0 OUTLIER . 74.12 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.77 7.967 . 0.0 OUTLIER . 74.5 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 116.787 7.986 . 0.0 OUTLIER gamma 73.05 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 116.802 8.003 . 0.493 1a . 74.21 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 O4'-C4'-C3' 93.064 -8.883 . 0.949 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 116.898 8.109 . 0.471 1a . 74.3 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 117.178 8.42 . 0.234 1a . 74.32 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 116.779 7.977 . 0.344 1a . 72.45 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 116.741 7.934 . 0.29 1a . 73.51 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 C1'-O4'-C4' 117.205 8.451 . 0.01 1m . 75.32 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 117.037 8.263 . 0.267 1a . 72.32 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . 0.466 " H2'" ' HG2' ' A' ' 61' ' ' ARG . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.738 7.932 . 0.022 1a . 63.42 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.921 8.134 . 0.0 OUTLIER gamma 72.44 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 1 O4'-C4'-C3' 90.078 -11.016 . 0.0 OUTLIER gamma 74.25 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 O4'-C4'-C3' 93.015 -8.918 . 0.0 OUTLIER . 73.55 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 3 O4'-C4'-C3' 93.393 -8.648 OUTLIER-DELTA 0.01 3g . 71.25 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 92.408 -9.351 . 0.043 5n . 75.13 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 92.973 -8.948 . 0.539 1a . 73.44 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.943 8.159 . 0.01 1a . 73.31 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 116.846 8.051 . 0.56 1a . 73.24 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.465 " H2'" ' C8 ' ' B' ' 206' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.833 2 C1'-O4'-C4' 117.348 8.609 . 0.132 1L . 72.44 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . 0.465 ' C8 ' " H2'" ' B' ' 205' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.846 8.051 . 0.0 OUTLIER zeta-1 72.42 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 117.299 8.554 . 0.0 OUTLIER . 73.24 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.894 3 C1'-O4'-C4' 116.945 8.161 . 0.0 OUTLIER . 75.02 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.746 7.94 . 0.461 1L . 75.12 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 O4'-C4'-C3' 93.945 -8.254 . 0.475 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 116.712 7.903 . 0.755 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.744 7.938 . 0.01 1a . 73.21 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 O4'-C4'-C3' 94.098 -8.144 . 0.754 1a . 73.44 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 C1'-O4'-C4' 117.219 8.465 . 0.0 OUTLIER . 72.42 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 116.85 8.056 . 0.0 OUTLIER . 65.44 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.265 8.516 . 0.151 1L . 74.44 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 116.787 7.985 . 0.0 OUTLIER gamma 74.51 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.473 " O2'" ' OP1' ' B' ' 219' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.238 2 O4'-C4'-C3' 91.39 -10.078 OUTLIER-EPSILON 0.0 OUTLIER . 74.25 . . . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.473 ' OP1' " O2'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.322 -10.921 1 C5'-C4'-O4' 120.888 8.348 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 75.45 . . . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 1 O4'-C4'-C3' 89.648 -11.323 . 0.0 OUTLIER delta-1 74.31 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.917 8.13 . 0.056 1L . 75.31 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 117.269 8.521 . 0.0 OUTLIER gamma 73.35 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.493 3 C1'-O4'-C4' 117.645 8.939 . 0.075 1a . 71.44 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 94.054 -8.176 . 0.0 OUTLIER . 73.33 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.875 2 C1'-O4'-C4' 117.11 8.344 . 0.01 1L . 73.31 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.738 7.931 . 0.801 1L . 75.31 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.811 8.013 . 0.015 1L . 74.51 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 93.132 -8.835 . 0.157 1a . 70.1 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.859 8.065 . 0.109 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.827 8.03 . 0.271 1a . 72.31 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 116.747 7.941 . 0.405 1a . 74.01 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 93.854 -8.318 . 0.823 1a . 74.22 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 C1'-O4'-C4' 117.078 8.309 . 0.375 1a . 75.45 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.826 8.029 . 0.34 1a . 74.55 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.536 -0.226 . . . . 61.14 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.65 151.43 37.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 71.22 110.942 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.73 21.15 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 63.45 111.128 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.82 133.34 37.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.875 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.98 -22.8 37.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 52.21 112.525 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.34 122.73 46.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 119.252 -0.404 . . . . 63.1 110.958 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -72.16 149.73 44.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 72.22 108.277 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.402 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 6.1 t80 -115.11 -23.29 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.999 -1.0 . . . . 71.13 110.935 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -66.54 -43.56 84.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 72.33 111.145 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -111.77 -38.28 4.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 53.12 108.201 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.64 34.89 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.063 -0.972 . . . . 64.41 112.444 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -101.89 115.19 65.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.739 . . . . 65.33 110.868 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 91.3 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 73.11 112.37 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.91 -42.84 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 71.54 112.51 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -120.94 -176.04 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 65.21 110.81 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.91 175.98 8.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 70.52 110.954 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -52.93 -39.17 62.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.951 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.65 -18.72 55.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.095 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -130.1 24.04 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 72.34 110.956 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.9 t -78.07 124.31 86.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 122.786 1.279 . . . . 33.14 108.283 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -11.91 31.73 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.746 2.297 . . . . 73.31 112.317 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.52 0.13 44.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.887 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -86.13 -25.72 25.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 70.05 110.872 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.26 145.79 39.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 65.34 110.86 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.0 163.86 39.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.878 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.8 p -163.34 79.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 72.34 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.09 53.35 0.59 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 74.35 112.433 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -178.93 141.11 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.892 0.377 . . . . 65.14 110.874 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.36 115.08 26.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 73.3 110.834 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -138.68 59.77 1.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.495 . . . . 74.01 110.823 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 56.48 27.11 11.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.04 110.865 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -102.45 172.6 6.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 71.32 110.872 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.7 t -123.33 117.39 25.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 53.53 108.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 28.87 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.987 -1.006 . . . . 74.05 110.955 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.842 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -126.04 -36.19 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 72.12 110.907 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.82 14.38 5.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 72.33 108.319 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m120 59.44 20.86 9.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.99 -1.005 . . . . 50.14 110.916 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.96 158.18 47.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.732 . . . . 71.01 112.5 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.7 mtm -124.42 98.32 5.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 63.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.22 -57.32 0.51 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 62.21 112.494 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -87.35 -173.42 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 73.23 110.861 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -118.99 151.79 37.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 71.15 110.859 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.842 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -57.37 -37.63 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 61.24 111.101 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -61.83 -22.49 65.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 72.01 110.91 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -117.28 16.75 14.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 63.44 110.925 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t -86.77 138.27 31.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 52.51 108.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 54.75 27.51 8.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.0 -1.0 . . . . 74.42 110.887 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -136.12 156.01 49.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 65.45 110.923 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -111.96 -53.74 2.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.296 -0.411 . . . . 73.52 110.938 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 63.21 110.856 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.058 2 O4'-C4'-C3' 93.754 -8.39 . 0.0 '__' . 75.23 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 117.185 8.427 . 0.605 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.76 7.955 . 0.662 1a . 74.11 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 116.86 8.067 . 0.705 1a . 73.14 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 O4'-C4'-C3' 94.004 -8.211 . 0.774 1a . 73.1 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 O4'-C4'-C3' 93.139 -8.829 . 0.749 1a . 72.35 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.079 2 O4'-C4'-C3' 94.108 -8.137 . 0.542 1a . 73.3 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 94.208 -8.066 . 0.778 1a . 74.12 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.789 -9.079 . 0.041 1g . 71.43 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 117.118 8.353 . 0.0 OUTLIER . 75.24 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 93.78 -8.372 . 0.37 9a . 75.32 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 116.86 8.067 . 0.756 1a . 73.44 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.776 7.973 . 0.718 1a . 62.43 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.968 8.186 . 0.853 1a . 73.1 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 93.1 -8.857 . 0.742 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 94.036 -8.188 . 0.0 OUTLIER . 72.22 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 O4'-C4'-C3' 94.053 -8.177 . 0.0 OUTLIER . 75.4 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.792 7.992 . 0.378 1a . 75.21 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 O4'-C4'-C3' 93.584 -8.512 . 0.838 1a . 64.31 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 117.143 8.381 . 0.418 1a . 73.42 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 3 O4'-C4'-C3' 93.186 -8.796 . 0.66 1a . 72.22 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.056 2 C1'-O4'-C4' 117.201 8.445 . 0.049 1L . 75.14 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.811 8.012 . 0.0 OUTLIER . 74.44 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.928 8.142 . 0.0 OUTLIER gamma 72.15 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.076 2 C1'-O4'-C4' 117.161 8.401 . 0.045 1f . 75.4 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.819 8.021 . 0.0 OUTLIER . 73.14 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.793 7.992 . 0.01 1g . 74.24 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.876 8.085 . 0.0 OUTLIER . 75.35 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.831 8.034 . 0.455 1a . 71.12 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 116.87 8.078 . 0.177 1a . 64.41 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 116.745 7.939 . 0.855 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.052 2 O4'-C4'-C3' 93.972 -8.234 . 0.652 1a . 72.54 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 116.817 8.019 . 0.561 1a . 70.41 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.75 7.945 . 0.558 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.85 8.056 . 0.666 1a . 75.42 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 93.603 -8.498 . 0.746 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.845 2 C1'-O4'-C4' 116.762 7.958 . 0.653 1a . 75.33 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 O4'-C4'-C3' 91.491 -10.007 . 0.257 1f . 75.04 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.046 1 C1'-O4'-C4' 103.935 -6.294 OUTLIER-DELTA 0.0 OUTLIER gamma 73.31 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 116.943 8.158 . 0.0 OUTLIER '7D dist 5d' 72.42 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.043 2 C1'-O4'-C4' 117.234 8.483 . 0.0 OUTLIER '7D dist 3g wannabe' 74.03 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 92.287 -9.438 . 0.0 OUTLIER . 73.23 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.856 2 O4'-C4'-C3' 92.614 -9.204 . 0.709 1a . 72.11 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 94.25 -8.035 . 0.354 1a . 72.33 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 C1'-O4'-C4' 116.929 8.144 . 0.497 1a . 73.41 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.26 8.511 . 0.186 1L . 74.21 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.962 3 C1'-O4'-C4' 116.836 8.04 . 0.0 OUTLIER zeta-1 74.41 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.228 8.476 . 0.0 OUTLIER . 72.32 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 3 C1'-O4'-C4' 116.991 8.212 . 0.0 OUTLIER . 74.23 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 116.776 7.973 . 0.461 1L . 75.54 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.178 8.421 . 0.46 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 116.753 7.948 . 0.843 1a . 74.51 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 116.753 7.947 . 0.584 1a . 73.24 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.827 8.03 . 0.46 1a . 74.4 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 116.795 7.994 . 0.0 OUTLIER zeta-1 75.14 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.798 7.998 . 0.492 1a . 74.01 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 C1'-O4'-C4' 117.226 8.473 . 0.23 1L . 74.52 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 O4'-C4'-C3' 94.174 -8.09 . 0.47 1a . 75.51 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.402 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 O4'--C4' 1.427 -2.183 2 O4'-C4'-C3' 92.22 -9.486 OUTLIER-EPSILON 0.0 OUTLIER gamma 73.24 . . . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.4 ' OP2' " C5'" ' B' ' 218' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.389 -5.321 2 C1'-O4'-C4' 118.092 9.435 . 0.0 OUTLIER epsilon-1 74.53 . . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 1 O4'-C4'-C3' 91.015 -10.346 . 0.0 OUTLIER gamma 74.23 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.513 7.681 . 0.047 1a . 72.41 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.83 2 C1'-O4'-C4' 117.184 8.427 . 0.107 1a . 75.3 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . 0.571 " O2'" " O5'" ' B' ' 224' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.452 2 C1'-O4'-C4' 117.838 9.153 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 75.02 . . . . . . . . . . 5 4 . 1 . 019 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . 0.571 " O5'" " O2'" ' B' ' 223' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 91.771 -9.806 . 0.0 OUTLIER epsilon-1 71.23 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 117.26 8.511 . 0.018 1L . 72.11 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.79 7.989 . 0.268 1a . 74.44 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.797 7.996 . 0.0 OUTLIER . 74.12 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.902 8.113 . 0.788 1a . 74.11 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.816 8.017 . 0.722 1a . 73.32 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.767 7.963 . 0.562 1a . 74.52 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.84 8.044 . 0.501 1a . 73.24 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 O4'-C4'-C3' 94.056 -8.174 . 0.71 1a . 75.11 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 117.072 8.302 . 0.644 1a . 74.51 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 116.804 8.005 . 0.679 1a . 74.13 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.467 -0.253 . . . . 62.41 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.49 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 73.04 110.803 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.43 15.9 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 61.53 111.111 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 131.13 45.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 73.34 110.839 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.55 -22.47 40.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 71.33 112.481 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.01 118.94 37.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 119.326 -0.368 . . . . 61.44 110.896 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.3 t -66.84 150.43 49.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 74.14 108.311 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.407 ' HB3' ' C6 ' ' B' ' 218' ' ' ' G' . 4.3 t80 -115.69 -23.96 8.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.012 -0.995 . . . . 73.13 110.863 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.8 m -65.99 -43.49 87.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 73.23 111.099 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.64 -37.99 5.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 73.14 108.265 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.19 35.16 4.0 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.017 -0.992 . . . . 21.25 112.47 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -100.16 118.36 61.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.585 0.707 . . . . 74.2 110.906 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 91.26 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.676 2.25 . . . . 73.41 112.365 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.24 -63.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 75.24 112.467 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -96.67 -174.32 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 71.14 110.884 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.68 175.34 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 73.34 110.885 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -51.5 -43.94 62.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 73.2 110.847 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.62 50.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 63.02 111.088 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.32 28.87 5.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.947 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.9 t -79.86 120.91 81.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.768 1.271 . . . . 73.22 108.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -13.83 35.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.259 . . . . 71.31 112.349 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.18 0.33 48.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 54.43 110.941 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.98 102.28 5.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 52.45 110.877 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 58.93 82.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.877 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.79 115.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.891 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.74 -59.89 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 74.52 110.878 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.74 117.54 4.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 64.34 112.547 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -147.19 -43.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.38 . . . . 74.12 110.875 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 t -113.85 177.25 4.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.01 110.843 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -120.21 39.89 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.875 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -116.49 26.83 9.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 74.05 110.876 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -102.88 173.1 6.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 60.35 110.895 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.2 t -123.96 117.19 24.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 73.32 108.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.06 28.21 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.982 -1.008 . . . . 75.3 110.917 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.838 HD12 ' HB1' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -125.25 -36.4 2.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.933 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.56 14.43 6.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 64.12 108.283 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.46 20.79 9.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.004 -0.998 . . . . 74.21 110.9 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.2 157.86 48.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 71.5 112.449 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mtp -124.33 98.7 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 73.2 110.947 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.17 -56.57 0.52 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 52.4 112.501 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -88.27 -173.51 4.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 71.54 110.805 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -118.43 151.89 36.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 64.32 110.929 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.838 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -58.26 -35.23 71.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 72.52 111.101 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -21.99 65.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 75.22 110.904 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.36 15.72 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.903 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.5 t -91.67 138.05 31.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 64.34 108.267 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 54.92 32.91 18.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.999 -1.0 . . . . 75.32 110.822 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -139.65 -46.04 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 62.43 110.89 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 61.87 28.45 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.848 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.861 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 92.771 -9.092 . 0.0 '__' . 73.13 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 161' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.87 8.077 . 0.714 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 162' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.812 8.013 . 0.668 1a . 71.43 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 163' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 O4'-C4'-C3' 94.074 -8.161 . 0.737 1a . 73.11 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 164' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 93.848 -8.323 . 0.771 1a . 74.51 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 165' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.062 2 O4'-C4'-C3' 93.723 -8.412 . 0.776 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 166' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 116.978 8.198 . 0.833 1a . 75.53 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 167' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 91.831 -9.764 . 0.8 1a . 75.41 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 168' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 1 O4'-C4'-C3' 90.859 -10.458 . 0.0 OUTLIER . 75.04 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 169' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 1 O4'-C4'-C3' 90.358 -10.816 . 0.0 OUTLIER gamma 73.01 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 170' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 92.457 -9.317 . 0.371 9a . 71.03 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 171' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.843 2 O4'-C4'-C3' 91.749 -9.822 . 0.0 OUTLIER '7D dist 1L' 64.13 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 172' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 116.788 7.987 . 0.01 1a . 73.41 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 173' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.831 2 C1'-O4'-C4' 116.941 8.156 . 0.761 1a . 73.3 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 174' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 93.038 -8.901 . 0.754 1a . 74.51 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 175' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 90.278 -10.873 . 0.0 OUTLIER . 74.24 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 176' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 3 O4'-C4'-C3' 93.511 -8.564 . 0.0 OUTLIER . 75.15 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 177' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 116.756 7.951 . 0.178 1a . 73.31 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 178' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 O4'-C4'-C3' 93.018 -8.916 . 0.797 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 179' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.077 2 O4'-C4'-C3' 93.266 -8.738 . 0.702 1a . 63.44 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 180' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.077 2 O4'-C4'-C3' 93.037 -8.902 . 0.659 1a . 75.43 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 181' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 117.19 8.434 . 0.023 1L . 74.3 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 182' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 1 O4'-C4'-C3' 90.967 -10.381 . 0.0 OUTLIER . 74.33 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 183' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 O4'-C4'-C3' 90.452 -10.748 . 0.05 1f . 73.14 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 184' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.016 1 O4'-C4'-C3' 91.012 -10.349 . 0.0 OUTLIER '7D dist 1c' 73.34 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 185' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.741 7.934 . 0.0 OUTLIER gamma 74.54 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 186' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.809 8.01 . 0.01 5j . 72.32 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 187' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 3 C1'-O4'-C4' 116.823 8.026 . 0.0 OUTLIER . 72.04 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 188' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.744 7.937 . 0.384 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 189' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 117.16 8.4 . 0.053 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 190' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.774 7.971 . 0.807 1a . 73.51 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 191' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 116.971 8.19 . 0.745 1a . 74.14 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 192' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.86 2 C1'-O4'-C4' 116.8 8.0 . 0.66 1a . 70.04 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 193' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.848 2 C1'-O4'-C4' 116.779 7.977 . 0.617 1a . 73.15 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 194' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 117.017 8.241 . 0.627 1a . 74.33 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 195' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 92.821 -9.057 . 0.777 1a . 73.51 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 196' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 C1'-O4'-C4' 116.742 7.936 . 0.497 1a . 75.51 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 197' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 O4'-C4'-C3' 93.836 -8.332 . 0.013 1f . 75.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 198' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 92.123 -9.555 . 0.0 OUTLIER . 74.24 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 199' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.91 8.122 . 0.069 5d . 75.15 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 200' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 116.33 7.478 . 0.0 OUTLIER gamma 70.04 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 90.494 -10.718 . 0.339 1e . 73.43 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 202' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 91.705 -9.854 . 0.514 1a . 74.34 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.018 2 O4'-C4'-C3' 92.831 -9.049 . 0.414 1a . 70.23 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 204' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 C1'-O4'-C4' 116.915 8.128 . 0.243 1a . 72.11 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.273 8.525 . 0.199 1L . 71.52 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 206' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 3 C1'-O4'-C4' 116.874 8.082 . 0.0 OUTLIER zeta-1 73.03 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 117.291 8.546 . 0.0 OUTLIER '7D dist &a' 74.53 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 208' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 3 C1'-O4'-C4' 117.016 8.24 . 0.0 OUTLIER . 73.13 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.77 7.967 . 0.458 1L . 75.44 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 210' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 117.232 8.48 . 0.469 1a . 73.34 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.87 2 C1'-O4'-C4' 116.83 8.033 . 0.609 1a . 75.01 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.864 8.071 . 0.549 1a . 72.33 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.775 7.972 . 0.605 1a . 71.51 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 214' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.839 8.043 . 0.0 OUTLIER zeta-1 75.14 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 215' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 94.012 -8.206 . 0.496 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 O4'-C4'-C3' 94.128 -8.123 . 0.329 1L . 74.24 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 217' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.806 2 O4'-C4'-C3' 94.17 -8.093 . 0.42 1a . 72.43 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 218' ' ' ' G' . . . . . 0.407 ' C6 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 O4'--C4' 1.427 -2.161 2 O4'-C4'-C3' 91.868 -9.737 OUTLIER-EPSILON 0.0 OUTLIER gamma 74.32 . . . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.411 ' O2 ' " H2'" ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.39 -5.281 2 C1'-O4'-C4' 118.057 9.397 . 0.0 OUTLIER epsilon-1 74.22 . . . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' B' B ' 220' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 1 O4'-C4'-C3' 91.214 -10.204 . 0.0 OUTLIER gamma 73.03 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 221' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.397 7.553 . 0.053 1a . 74.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 222' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 C1'-O4'-C4' 117.201 8.445 . 0.154 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 223' ' ' ' U' . . . . . 0.58 " O2'" " O5'" ' B' ' 224' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.399 -4.516 2 C1'-O4'-C4' 117.714 9.016 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 73.41 . . . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' B' B ' 224' ' ' ' U' . . . . . 0.58 " O5'" " O2'" ' B' ' 223' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.026 2 O4'-C4'-C3' 91.702 -9.855 . 0.0 OUTLIER epsilon-1 73.5 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 225' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.071 2 C1'-O4'-C4' 117.167 8.408 . 0.03 1L . 74.43 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 226' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.782 7.98 . 0.243 1a . 74.45 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 227' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 116.842 8.047 . 0.0 OUTLIER . 75.44 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 228' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 O4'-C4'-C3' 93.136 -8.831 . 0.785 1a . 74.31 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 229' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.773 7.97 . 0.715 1a . 73.41 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 230' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.75 7.945 . 0.598 1a . 75.44 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 231' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.76 7.956 . 0.589 1a . 70.51 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 232' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.935 8.15 . 0.625 1a . 75.34 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 233' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 94.106 -8.138 . 0.729 1a . 73.34 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 234' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 116.794 7.993 . 0.687 1a . 75.22 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 235' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 236' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_